2-benzyl-2H-tetrazole-5-carboxylic acid
TL;DR: 2-benzyl-2H-tetrazole-5-carboxylic acid (CAS 55408-13-4) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyltetrazole-5-carboxylic acid
Also Known As: 2-benzyl-2H-tetrazole-5-carboxylic acid, 2-benzyltetrazole-5-carboxylic acid
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.06473 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 55408-13-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2N=C(N=N2)C(=O)O |
| InChIKey | SULGXWMEEJVIFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-benzyl-2H-tetrazole-5-carboxylic acid (CAS 55408-13-4), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: 2-benzyltetrazole-5-carboxylic acid.
Chemical Property Profile of 2-benzyl-2H-tetrazole-5-carboxylic acid
Property Insights of 2-benzyl-2H-tetrazole-5-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzyl-2H-tetrazole-5-carboxylic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzyl-2H-tetrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-benzyl-2H-tetrazole-5-carboxylic acid 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 2-benzyl-2H-tetrazole-5-carboxylic acid?
The CAS number of 2-benzyl-2H-tetrazole-5-carboxylic acid is 55408-13-4.
What is the molecular formula of 2-benzyl-2H-tetrazole-5-carboxylic acid?
The molecular formula of 2-benzyl-2H-tetrazole-5-carboxylic acid is C9H8N4O2.
What is the molecular weight of 2-benzyl-2H-tetrazole-5-carboxylic acid?
The molecular weight of 2-benzyl-2H-tetrazole-5-carboxylic acid is 204.06 g/mol.
Where can I buy 2-benzyl-2H-tetrazole-5-carboxylic acid?
You can request a quote for 2-benzyl-2H-tetrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzyl-2H-tetrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-2H-tetrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.