F2691-0134
TL;DR: F2691-0134 (CAS 127572-31-0) is a chemical compound with molecular formula C20H22ClN5O3 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide
Also Known As: F2691-0134, 5-amino-1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide, 5-amino-1-(4-chlorobenzyl)-N-(3,4-dimethoxyphenethyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C20H22ClN5O3 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 2.5517 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.1411 |
| Heavy Atoms | 29 |
| Complexity | 988.2818 |
Chemical Identifiers
| CAS Number | 127572-31-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)Cl)N)OC |
Product Overview
F2691-0134 (CAS 127572-31-0), with molecular formula C20H22ClN5O3 and molecular weight 415.14 g/mol. IUPAC: 5-amino-1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide.
Chemical Property Profile of F2691-0134
Property Insights of F2691-0134
The XLogP value of 2.5517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2691-0134. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0134. Following Lipinski's Rule of Five, F2691-0134 has 2 hydrogen bond donor(s) and 6 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 F2691-0134?
The CAS number of F2691-0134 is 127572-31-0.
What is the molecular formula of F2691-0134?
The molecular formula of F2691-0134 is C20H22ClN5O3.
What is the molecular weight of F2691-0134?
The molecular weight of F2691-0134 is 415.14 g/mol.
Where can I buy F2691-0134?
You can request a quote for F2691-0134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0134?
Yes, KEHONG BIO provides custom synthesis services for F2691-0134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.