艾沙康唑
TL;DR: 艾沙康唑 (CAS 497235-79-7) is a chemical compound with molecular formula C22H17F2N5OS and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾沙康唑
4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
Also Known As: Isavuconazole, isavuconazol, isavuconazolum, Cresemba, Isavuconazole [INN]
| Molecular Formula | C22H17F2N5OS |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 4.24298 |
| Topological Polar Surface Area | 87.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.11218 |
| Heavy Atoms | 31 |
| Complexity | 1233.7822 |
Chemical Identifiers
| CAS Number | 497235-79-7 |
|---|---|
| SMILES | C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O |
Product Overview
艾沙康唑 (CAS 497235-79-7), with molecular formula C22H17F2N5OS and molecular weight 437.11 g/mol. IUPAC: 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile.
Chemical Property Profile of 艾沙康唑
Property Insights of 艾沙康唑
The XLogP value of 4.24298 indicates that 艾沙康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 艾沙康唑. Following Lipinski's Rule of Five, 艾沙康唑 has 1 hydrogen bond donor(s) and 6 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 艾沙康唑?
The CAS number of 艾沙康唑 is 497235-79-7.
What is the molecular formula of 艾沙康唑?
The molecular formula of 艾沙康唑 is C22H17F2N5OS.
What is the molecular weight of 艾沙康唑?
The molecular weight of 艾沙康唑 is 437.11 g/mol.
Where can I buy 艾沙康唑?
You can request a quote for 艾沙康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾沙康唑?
Yes, KEHONG BIO provides custom synthesis services for 艾沙康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.