ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate
TL;DR: ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate (CAS 77177-26-5) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-methyltetrazol-1-yl)benzoate
Also Known As: ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate, ethyl 2-(5-methyltetrazol-1-yl)benzoate, Benzoic acid, 2-(5-methyl-1H-tetrazol-1-yl)-, ethyl ester, 1-(2'-carbethoxyphenyl)-5-methyltetrazole, ethyl- 2-(5-methyl-1H-tetrazol-1-yl)benzoate
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.14742 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 535.77264 |
Chemical Identifiers
| CAS Number | 77177-26-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N2C(=NN=N2)C |
Product Overview
ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate (CAS 77177-26-5), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: ethyl 2-(5-methyltetrazol-1-yl)benzoate.
Chemical Property Profile of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate
Property Insights of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate
The XLogP value of 1.14742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate has 0 hydrogen bond donor(s) and 5 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 ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate?
The CAS number of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate is 77177-26-5.
What is the molecular formula of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate?
The molecular formula of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate is C11H12N4O2.
What is the molecular weight of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate?
The molecular weight of ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate is 232.10 g/mol.
Where can I buy ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate?
You can request a quote for ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.