F2691-0612
TL;DR: F2691-0612 (CAS 899737-50-9) is a chemical compound with molecular formula C17H15ClFN5O and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-[(2-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
Also Known As: F2691-0612, 5-amino-N-(2-chlorobenzyl)-1-(3-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-[(2-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide, 5-amino-N-[(2-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C17H15ClFN5O |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 2.6311 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0949 |
| Heavy Atoms | 25 |
| Complexity | 911.5588 |
Chemical Identifiers
| CAS Number | 899737-50-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)F)N)Cl |
Product Overview
F2691-0612 (CAS 899737-50-9), with molecular formula C17H15ClFN5O and molecular weight 359.09 g/mol. IUPAC: 5-amino-N-[(2-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide.
Chemical Property Profile of F2691-0612
Property Insights of F2691-0612
The XLogP value of 2.6311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2691-0612. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0612. Following Lipinski's Rule of Five, F2691-0612 has 2 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 F2691-0612?
The CAS number of F2691-0612 is 899737-50-9.
What is the molecular formula of F2691-0612?
The molecular formula of F2691-0612 is C17H15ClFN5O.
What is the molecular weight of F2691-0612?
The molecular weight of F2691-0612 is 359.09 g/mol.
Where can I buy F2691-0612?
You can request a quote for F2691-0612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0612?
Yes, KEHONG BIO provides custom synthesis services for F2691-0612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.