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171228-49-2

Basic Information
CAS No.: 171228-49-2
Name: Posaconazole
Article Data: 27
Molecular Structure:
Molecular Structure of 171228-49-2 (Posaconazole)
Formula: C37H42F2N8O4
Molecular Weight: 700.788
Synonyms: HYDROXYPROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE;Noxafil;Pos;Posaconazole;Posaconazole for research;Posconazole;Pcz;
EINECS: 200-659-6
Density: 1.36 g/cm3
Melting Point: 170-172 °C
Boiling Point: 850.7 °C at 760 mmHg
Flash Point: 468.3 °C
Appearance: White solid
Hazard Symbols: F,T
Risk Codes: 11-23/24/25-39/23/24/25
Safety: 7-16-36/37-45
PSA: 115.70000
LogP: 4.70320
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  • CAS171228-49-2   Posaconazole

  • Casno:

    171228-49-2

    CAS171228-49-2 Posaconazole

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  • Posaconazole

  • Casno:

    171228-49-2

    Posaconazole

    Min.Order: 1 Gram

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    Factory direct sales, accept customization. Kind Pharma has its own laboratory, we can do analytical testing for API (Active Pharmaceutical Ingredient), pharmaceutical intermediate, pesticide intermediate, additive and other chemical products, so it

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  • Posaconazole 171228-49-2

  • Casno:

    171228-49-2

    Posaconazole 171228-49-2

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  • Posaconazole

  • Casno:

    171228-49-2

    Posaconazole

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    Hangzhou KeyingChem Co., Ltd. exported this product to many countries and regions at best price. If you are looking for the material’s manufacturer or supplier in China, KeyingChem is your best choice. Pls contact with us freely for getting det

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  • Factory Supply Posaconazole CAS 171228-49-2 with Fast Shipment

  • Casno:

    171228-49-2

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    Hubei Yuanmeng Biological Technology Co., Ltd., which is located in Wuhan, China. We are specializing in the exportation of APIs, and plant extracts ect. Our products has been exported to America, Australia, Brazil, the Europe, Middle East and other

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Specification

The Posaconazole is an organic compound with the formula C37H42F2N8O4. The IUPAC name of this chemical is 4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one. With the CAS registry number 171228-49-2, it is also named as [3R-[3a(1S*,2S*),5a]]-4-[4-[4-[4-[[5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-(1-ethyl-2-hydroxypropyl)-2,4-dihydro-3H-1,2,4-tri. The product's categories are Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a white solid, which is used to treat invasive infections by candida species, mucor, and aspergillus species in severely immunocompromised patients. There is also limited clinical evidence for its utility in treatment of invasive disease caused by fusarium species (fusariosis).

Physical properties about Posaconazole are: (1)ACD/LogP: 4.671; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 104.35; (6)ACD/BCF (pH 7.4): 1666.35; (7)ACD/KOC (pH 5.5): 413.54; (8)ACD/KOC (pH 7.4): 6603.96; (9)#H bond acceptors: 12; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 188.559 cm3; (14)Molar Volume: 512.024 cm3; (15)Polarizability: 74.751 10-24cm3; (16)Surface Tension: 52.6349983215332 dyne/cm; (17)Density: 1.369 g/cm3; (18)Flash Point: 468.262 °C; (19)Enthalpy of Vaporization: 129.538 kJ/mol; (20)Boiling Point: 850.659 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27?,35-,37-/m0/s1;
(2)InChIKey=RAGOYPUPXAKGKH-AGDNISCASA-N;
(3)Smilesc1c(n2c(n([C@@H](CC)[C@@H](O)C)nc2)=O)ccc(N2CCN(c3ccc(OC[C@@H]4C[C@](OC4)(Cn4cncn4)c4c(cc(cc4)F)F)cc3)CC2)c1;