C549-0306
TL;DR: C549-0306 (CAS 865656-22-0) is a chemical compound with molecular formula C18H15ClF3N5O2 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-(5-chloro-2-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
Also Known As: C549-0306, 5-amino-N-(5-chloro-2-methoxy-phenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide, 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide, 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H15ClF3N5O2 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 3.8417 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.08664 |
| Heavy Atoms | 29 |
| Complexity | 1052.2161 |
Chemical Identifiers
| CAS Number | 865656-22-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)C(F)(F)F)N |
Product Overview
C549-0306 (CAS 865656-22-0), with molecular formula C18H15ClF3N5O2 and molecular weight 425.09 g/mol. IUPAC: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
Chemical Property Profile of C549-0306
Property Insights of C549-0306
The XLogP value of 3.8417 indicates that C549-0306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C549-0306. Following Lipinski's Rule of Five, C549-0306 has 2 hydrogen bond donor(s) and 5 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 C549-0306?
The CAS number of C549-0306 is 865656-22-0.
What is the molecular formula of C549-0306?
The molecular formula of C549-0306 is C18H15ClF3N5O2.
What is the molecular weight of C549-0306?
The molecular weight of C549-0306 is 425.09 g/mol.
Where can I buy C549-0306?
You can request a quote for C549-0306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C549-0306?
Yes, KEHONG BIO provides custom synthesis services for C549-0306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.