F2691-0643
TL;DR: F2691-0643 (CAS 899737-62-3) is a chemical compound with molecular formula C18H18FN5O and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(2,5-dimethylphenyl)methyl]-N-(3-fluorophenyl)triazole-4-carboxamide
Also Known As: F2691-0643, 5-amino-1-(2,5-dimethylbenzyl)-N-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(2,5-dimethylphenyl)methyl]-N-(3-fluorophenyl)triazole-4-carboxamide
| Molecular Formula | C18H18FN5O |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 2.91684 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.14954 |
| Heavy Atoms | 25 |
| Complexity | 934.9659 |
Chemical Identifiers
| CAS Number | 899737-62-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)F)N |
Product Overview
F2691-0643 (CAS 899737-62-3), with molecular formula C18H18FN5O and molecular weight 339.15 g/mol. IUPAC: 5-amino-1-[(2,5-dimethylphenyl)methyl]-N-(3-fluorophenyl)triazole-4-carboxamide.
Chemical Property Profile of F2691-0643
Property Insights of F2691-0643
The XLogP value of 2.91684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2691-0643. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0643. Following Lipinski's Rule of Five, F2691-0643 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 F2691-0643?
The CAS number of F2691-0643 is 899737-62-3.
What is the molecular formula of F2691-0643?
The molecular formula of F2691-0643 is C18H18FN5O.
What is the molecular weight of F2691-0643?
The molecular weight of F2691-0643 is 339.15 g/mol.
Where can I buy F2691-0643?
You can request a quote for F2691-0643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0643?
Yes, KEHONG BIO provides custom synthesis services for F2691-0643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.