![Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate structure](/static/products/899/899981-72-7.png)
Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate
TL;DR: Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate (CAS 899981-72-7) is a chemical compound with molecular formula C18H16FN5O3 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate
Also Known As: F2691-0622, methyl 4-(5-amino-1-(3-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamido)benzoate, methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate, methyl 4-{5-amino-1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-amido}benzoate, methyl 4-({[5-amino-1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoate
| Molecular Formula | C18H16FN5O3 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 2.0866 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.12372 |
| Heavy Atoms | 27 |
| Complexity | 984.9171 |
Chemical Identifiers
| CAS Number | 899981-72-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)F)N |
Product Overview
Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate (CAS 899981-72-7), with molecular formula C18H16FN5O3 and molecular weight 369.12 g/mol. IUPAC: methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate
Property Insights of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate
The XLogP value of 2.0866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate 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 Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate?
The CAS number of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate is 899981-72-7.
What is the molecular formula of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate?
The molecular formula of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate is C18H16FN5O3.
What is the molecular weight of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate?
The molecular weight of Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate is 369.12 g/mol.
Where can I buy Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate?
You can request a quote for Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.