F2691-0300
TL;DR: F2691-0300 (CAS 899981-42-1) is a chemical compound with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]triazole-4-carboxamide
Also Known As: F2691-0300, 5-amino-1-(3-chlorobenzyl)-N-(3,4-dimethoxybenzyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]triazole-4-carboxamide, 5-amino-1-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C19H20ClN5O3 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.5092 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.12546 |
| Heavy Atoms | 28 |
| Complexity | 989.4505 |
Chemical Identifiers
| CAS Number | 899981-42-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Cl)N)OC |
Product Overview
F2691-0300 (CAS 899981-42-1), with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol. IUPAC: 5-amino-1-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]triazole-4-carboxamide.
Chemical Property Profile of F2691-0300
Property Insights of F2691-0300
The XLogP value of 2.5092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2691-0300. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F2691-0300. Following Lipinski's Rule of Five, F2691-0300 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 F2691-0300?
The CAS number of F2691-0300 is 899981-42-1.
What is the molecular formula of F2691-0300?
The molecular formula of F2691-0300 is C19H20ClN5O3.
What is the molecular weight of F2691-0300?
The molecular weight of F2691-0300 is 401.13 g/mol.
Where can I buy F2691-0300?
You can request a quote for F2691-0300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2691-0300?
Yes, KEHONG BIO provides custom synthesis services for F2691-0300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.