Isavuconazole Impurity 4
TL;DR: Isavuconazole Impurity 4 (CAS 170862-36-9) is a chemical compound with molecular formula C13H12F2N4O and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
Also Known As: Isavuconazole Impurity 4, EX-A15378, (2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile, (2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile, (2S,3R)-3-(2,4-DIFLUOROPHENYL)-3-HYDROXY-2-METHYL-4-(1,2,4-TRIAZOL-1-YL)BUTANENITRILE
| Molecular Formula | C13H12F2N4O |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 1.60378 |
| Topological Polar Surface Area | 74.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.09793 |
| Heavy Atoms | 20 |
| Complexity | 638.31586 |
Chemical Identifiers
| CAS Number | 170862-36-9 |
|---|---|
| SMILES | C[C@@H](C#N)[C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O |
Product Overview
Isavuconazole Impurity 4 (CAS 170862-36-9), with molecular formula C13H12F2N4O and molecular weight 278.10 g/mol. IUPAC: (2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile.
Chemical Property Profile of Isavuconazole Impurity 4
Property Insights of Isavuconazole Impurity 4
The XLogP value of 1.60378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isavuconazole Impurity 4. The TPSA of 74.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Isavuconazole Impurity 4. Following Lipinski's Rule of Five, Isavuconazole Impurity 4 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isavuconazole Impurity 4?
The CAS number of Isavuconazole Impurity 4 is 170862-36-9.
What is the molecular formula of Isavuconazole Impurity 4?
The molecular formula of Isavuconazole Impurity 4 is C13H12F2N4O.
What is the molecular weight of Isavuconazole Impurity 4?
The molecular weight of Isavuconazole Impurity 4 is 278.10 g/mol.
Where can I buy Isavuconazole Impurity 4?
You can request a quote for Isavuconazole Impurity 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isavuconazole Impurity 4?
Yes, KEHONG BIO provides custom synthesis services for Isavuconazole Impurity 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.