F2691-0461
TL;DR: F2691-0461 (CAS 899981-50-1) is a chemical compound with molecular formula C18H18ClN5O and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)triazole-4-carboxamide
Also Known As: F2691-0461, 5-amino-1-(2-chlorobenzyl)-N-(2,3-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)triazole-4-carboxamide
| Molecular Formula | C18H18ClN5O |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.43114 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.12 |
| Heavy Atoms | 25 |
| Complexity | 934.9659 |
Chemical Identifiers
| CAS Number | 899981-50-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=N2)CC3=CC=CC=C3Cl)N)C |
Product Overview
F2691-0461 (CAS 899981-50-1), with molecular formula C18H18ClN5O and molecular weight 355.12 g/mol. IUPAC: 5-amino-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)triazole-4-carboxamide.
Chemical Property Profile of F2691-0461
Property Insights of F2691-0461
The XLogP value of 3.43114 indicates that F2691-0461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0461. Following Lipinski's Rule of Five, F2691-0461 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 F2691-0461?
The CAS number of F2691-0461 is 899981-50-1.
What is the molecular formula of F2691-0461?
The molecular formula of F2691-0461 is C18H18ClN5O.
What is the molecular weight of F2691-0461?
The molecular weight of F2691-0461 is 355.12 g/mol.
Where can I buy F2691-0461?
You can request a quote for F2691-0461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0461?
Yes, KEHONG BIO provides custom synthesis services for F2691-0461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.