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19870-46-3

Basic Information
CAS No.: 19870-46-3
Name: 1,3-Dicaffeoylquinic acid
Molecular Structure:
Molecular Structure of 19870-46-3 (1,3-Dicaffeoylquinic acid)
Formula: C25H24O12
Molecular Weight: 516.458
Synonyms: Cyclohexanecarboxylic acid,1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- (9CI);Cyclohexanecarboxylic acid,1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, [1S-(1a,3b,4a,5a)]-;1,3-Dicaffeoylquinic acid;1,3-O-Dicaffeoylquinic acid;
EINECS: 214-655-7
Density: 1.64 g/cm3
Melting Point: N/A
Boiling Point: 819.9 °C at 760 mmHg
Flash Point: 278.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 211.28000
LogP: 1.02960
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    Wuhan Prominence Bio-technology Co., Ltd is a leading provider and manufacturer of pharmaceutical and chemical products. Mainly involves API, pharmaceutical intermediates peptides

  • Wuhan Prominence Bio-technology Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86 18327075275

    Address:wuhan

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  • 1,5-Dicaffeoylquinic acid

  • Casno:

    19870-46-3

    1,5-Dicaffeoylquinic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Natural extractedAppearance:Off-white powder Storage:2~8℃, protected from light and air Package:Tailored by requirement Application:R&D use only not for drug, household or other purpose. Transportation:via FedEx, DHL, EMS

    Gelipu offers R&D and separating of natural compounds from mgs through grams to Kgs, custom synthesis service,library screening. Gelipu supply thousands of reference standard used

  • Chengdu Gelipu Biotechnology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-28-82610909

    Address:chegndu

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  • 1,3-O-Dicaffeoylquinic acid

  • Casno:

    19870-46-3

    1,3-O-Dicaffeoylquinic acid

    Min.Order: 20 Milligram

    FOB Price:  USD $ 0.0-0.0/Milligram

    The purity is no less than 98% by HPLC,which can be used as reference standard in quality analysis.The ordinary packege is 20mg per vial. Besides,it can be provided from grams to kg level for other uses. Package:20mg per vial Application:Used as r

    Shanghai Nature Standard R&D and Biotech Co. Ltd is an innovative company specializing in producing high quality phytochemical extracts from herbs and Traditional Chinese Medicine

  • Shanghai Standard Biotech Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-21-51320033-15

    Address:Room 103, Building 2nd, NO.720, Cailun Road , Pudong District, Shanghai, China

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  • Cynarin

  • Casno:

    19870-46-3

    Cynarin

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    High pure standard, Quick shippment COA with HPLC, MS and NMR spectra. Package:20mg Application:pharmaceutical industry, food industry, research

    SHANGHAI ZZBIO CO. LTD. is a high-tech enterprise involved in oligosaccharides & polysaccharides, PEG & PEGylation and phytochemicals for customers in pharmaceutical industry, food

  • SHANGHAI ZZBIO CO., LTD.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-21-68404353-215

    Address:Rm 710, 30 BLDG, 2419 Hu Nan RD., Pudong New Area, Shanghai, China

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  • 1,3-Dicaffeoylquinic acid

  • Casno:

    19870-46-3

    1,3-Dicaffeoylquinic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    PCM-JYH-004-020 – 20mg Marker For: Lonicera acuminata Wall. Molecular Formula C25H24O12 Molecular Weight 516.45086 [g/mol]Appearance:white powder Package:20mg, 100mg, 1gram

    Phytomarker Ltd is a new leading manufacturer in the research, develop, manufacture of High Purity bioactive compound, Reference Standards, and Act

  • Phytomarker Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-22-26358246

    Address:601-4-20, Fujiayuan, Tiantai Road, Hebei District, Tianjin, China

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Specification

The cas register number of 1,3-Dicaffeoylquinic acid is 19870-46-3. It also can be called as Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- and the Systematic name about this chemical is (1S,3R,4R,5R)-1,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexanecarboxylic acid.

Physical properties about 1,3-Dicaffeoylquinic acid are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): -2.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 134.28Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 123.93 cm3; (15)Molar Volume: 313.9 cm3; (16)Polarizability: 49.13x10-24cm3; (17)Surface Tension: 103.9 dyne/cm; (18)Enthalpy of Vaporization: 124.93 kJ/mol; (19)Boiling Point: 819.9 °C at 760 mmHg; (20)Vapour Pressure: 1.92E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]3(OC(=O)\C=C\c1ccc(O)c(O)c1)C[C@@H](O)[C@@H](O)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)C3
(2)InChI: InChI=1/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
(3)InChIKey: YDDUMTOHNYZQPO-PSEXTPKNBM
(4)Std. InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
(5)Std. InChIKey: YDDUMTOHNYZQPO-PSEXTPKNSA-N