Genaconazole
TL;DR: Genaconazole (CAS 134779-41-2) is a chemical compound with molecular formula C13H15F2N3O3S and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Genaconazole, Sch 39304, SM-8668 analogs, Sch 42427, (R,R)-Sch 39304
| Molecular Formula | C13H15F2N3O3S |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.08023 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 134779-41-2 |
|---|---|
| SMILES | C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)C |
| InChIKey | HFGZFHCWKKQGIS-NOZJJQNGSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Genaconazole (CAS 134779-41-2), with molecular formula C13H15F2N3O3S and molecular weight 331.08 g/mol. IUPAC: (2R,3R)-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of Genaconazole
Property Insights of Genaconazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Genaconazole. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Genaconazole. Following Lipinski's Rule of Five, Genaconazole has 1 hydrogen bond donor(s) and 7 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 Genaconazole?
The CAS number of Genaconazole is 134779-41-2.
What is the molecular formula of Genaconazole?
The molecular formula of Genaconazole is C13H15F2N3O3S.
What is the molecular weight of Genaconazole?
The molecular weight of Genaconazole is 331.08 g/mol.
Where can I buy Genaconazole?
You can request a quote for Genaconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Genaconazole?
Yes, KEHONG BIO provides custom synthesis services for Genaconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.