![methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate structure](/static/products/484/484039-69-2.png)
methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate
TL;DR: methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate (CAS 484039-69-2) is a chemical compound with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
Also Known As: Methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate, methyl 4-(3-(1H-tetrazol-1-yl)benzamido)benzoate, methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate, methyl 4-[(3-(1,2,3,4-tetraazolyl)phenyl)carbonylamino]benzoate
| Molecular Formula | C16H13N5O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 1.7012 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.10184 |
| Heavy Atoms | 24 |
| Complexity | 859.6841 |
Chemical Identifiers
| CAS Number | 484039-69-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C=NN=N3 |
Product Overview
methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate (CAS 484039-69-2), with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol. IUPAC: methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate
Property Insights of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate
The XLogP value of 1.7012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate has 1 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-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate?
The CAS number of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate is 484039-69-2.
What is the molecular formula of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate?
The molecular formula of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate is C16H13N5O3.
What is the molecular weight of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate?
The molecular weight of methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate is 323.10 g/mol.
Where can I buy methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate?
You can request a quote for methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]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-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[3-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.