isopropyl 3-(2H-tetrazol-5-yl)benzoate
TL;DR: isopropyl 3-(2H-tetrazol-5-yl)benzoate (CAS 867329-89-3) 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.
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
Also Known As: isopropyl 3-(2H-tetrazol-5-yl)benzoate, propan-2-yl 3-(2H-1,2,3,4-tetrazol-5-yl)benzoate, Propan-2-yl 3-(2H-tetrazol-5-yl)benzoate, isopropyl3-(2H-tetrazol-5-yl)benzoate
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.4319 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 507.9498 |
Chemical Identifiers
| CAS Number | 867329-89-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC(=C1)C2=NNN=N2 |
Product Overview
isopropyl 3-(2H-tetrazol-5-yl)benzoate (CAS 867329-89-3), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: propan-2-yl 3-(2H-tetrazol-5-yl)benzoate.
Chemical Property Profile of isopropyl 3-(2H-tetrazol-5-yl)benzoate
Property Insights of isopropyl 3-(2H-tetrazol-5-yl)benzoate
The XLogP value of 1.4319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl 3-(2H-tetrazol-5-yl)benzoate. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 3-(2H-tetrazol-5-yl)benzoate. Following Lipinski's Rule of Five, isopropyl 3-(2H-tetrazol-5-yl)benzoate has 1 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 isopropyl 3-(2H-tetrazol-5-yl)benzoate?
The CAS number of isopropyl 3-(2H-tetrazol-5-yl)benzoate is 867329-89-3.
What is the molecular formula of isopropyl 3-(2H-tetrazol-5-yl)benzoate?
The molecular formula of isopropyl 3-(2H-tetrazol-5-yl)benzoate is C11H12N4O2.
What is the molecular weight of isopropyl 3-(2H-tetrazol-5-yl)benzoate?
The molecular weight of isopropyl 3-(2H-tetrazol-5-yl)benzoate is 232.10 g/mol.
Where can I buy isopropyl 3-(2H-tetrazol-5-yl)benzoate?
You can request a quote for isopropyl 3-(2H-tetrazol-5-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 3-(2H-tetrazol-5-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 3-(2H-tetrazol-5-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.