2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid
TL;DR: 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid (CAS 21743-58-8) 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-(5-phenyltetrazol-1-yl)acetic acid
Also Known As: 2-(5-phenyltetrazol-1-yl)acetic Acid, 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid, 1H-Tetrazole-1-acetic acid, 5-phenyl-, 5-phenyltetrazole-1-acetic acid, 5-Phenyl-1-tetrazoleacetic acid
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 0.9 |
| 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 | 21743-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=NN2CC(=O)O |
| InChIKey | BYVHAWLFYKHSKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid (CAS 21743-58-8), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: 2-(5-phenyltetrazol-1-yl)acetic acid.
Chemical Property Profile of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid
Property Insights of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic 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-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid?
The CAS number of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid is 21743-58-8.
What is the molecular formula of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid?
The molecular formula of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid is C9H8N4O2.
What is the molecular weight of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid?
The molecular weight of 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid is 204.06 g/mol.
Where can I buy 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid?
You can request a quote for 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.