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349087-34-9

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Basic Information
CAS No.: 349087-34-9
Name: JX401
Molecular Structure:
Molecular Structure of 349087-34-9 (JX401)
Formula: C21H25NO2S
Molecular Weight: 355.49
Synonyms: JX401;1-[2-Methoxy-4-(methylthio)benzoyl]-4-benzylpiperidine;1-[2-Methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)piperidine
Density: 1.17 g/cm3
Boiling Point: 537.3 °C at 760 mmHg
Flash Point: 278.8 °C
Hazard Symbols: DangerousN
Risk Codes: 50/53
Safety: 60-61
Transport Information: UN 3077
PSA: 54.84000
LogP: 4.44990
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    JX401

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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    JX401

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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    JX 401

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    BOC Sciences provides a wide range of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. Package:

    BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-info

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  • JX401

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    JX401

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

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Specification

This chemical is called JX401, and its systematic name is (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone. With the molecular formula of C21H25NO2S. The CAS registry number of this chemical is 349087-34-9. Additionally, its product categorie is Intracellular Signaling. 

Other characteristics of the JX401 can be summarised as followings:(1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1933.84; (6)ACD/BCF (pH 7.4): 1933.84; (7)ACD/KOC (pH 5.5): 7834.61; (8)ACD/KOC (pH 7.4): 7834.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.84 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 104.81 cm3; (15)Molar Volume: 301.6 cm3; (16)Polarizability: 41.55×10-24 cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 278.8 °C; (20)Enthalpy of Vaporization: 81.42 kJ/mol; (21)Boiling Point: 537.3 °C at 760 mmHg; (22) Vapour Pressure: 1.28E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing to the environment. Refer to special instructions / safety data sheets. In addition, this material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1ccc(SC)cc1OC)N3CCC(Cc2ccccc2)CC3
2.InChI: InChI=1/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
3.InChIKey: OMGLGPKQUFSRNN-UHFFFAOYAF
4.Std. InChI: InChI=1S/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
5.Std. InChIKey: OMGLGPKQUFSRNN-UHFFFAOYSA-N