C17H12ClF3N4O
TL;DR: C17H12ClF3N4O (CAS 866896-11-9) is a chemical compound with molecular formula C17H12ClF3N4O and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
Also Known As: N-(4-chlorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide, F1607-0618, N-(4-chlorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide, N-(4-chlorophenyl)-5-methyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C17H12ClF3N4O |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 4.50022 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0652 |
| Heavy Atoms | 26 |
| Complexity | 951.387 |
Chemical Identifiers
| CAS Number | 866896-11-9 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
C17H12ClF3N4O (CAS 866896-11-9), with molecular formula C17H12ClF3N4O and molecular weight 380.07 g/mol. IUPAC: N-(4-chlorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
Chemical Property Profile of C17H12ClF3N4O
Property Insights of C17H12ClF3N4O
The XLogP value of 4.50022 indicates that C17H12ClF3N4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C17H12ClF3N4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H12ClF3N4O has 1 hydrogen bond donor(s) and 3 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 C17H12ClF3N4O?
The CAS number of C17H12ClF3N4O is 866896-11-9.
What is the molecular formula of C17H12ClF3N4O?
The molecular formula of C17H12ClF3N4O is C17H12ClF3N4O.
What is the molecular weight of C17H12ClF3N4O?
The molecular weight of C17H12ClF3N4O is 380.07 g/mol.
Where can I buy C17H12ClF3N4O?
You can request a quote for C17H12ClF3N4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H12ClF3N4O?
Yes, KEHONG BIO provides custom synthesis services for C17H12ClF3N4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.