3-(2H-tetrazol-5-ylamino)benzoic acid
TL;DR: 3-(2H-tetrazol-5-ylamino)benzoic acid (CAS 199535-07-4) is a chemical compound with molecular formula C8H7N5O2 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2H-tetrazol-5-ylamino)benzoic acid
Also Known As: 3-(2H-tetrazol-5-ylamino)benzoic acid, Benzoic acid, 3-(1H-tetrazol-5-ylamino)- (9CI), 3-[(1H-1,2,3,4-Tetrazol-5-yl)amino]benzoic acid, Benzoic acid, 3-(1H-tetrazol-5-ylamino)-, Benzoic acid, 3-(2H-tetrazol-5-ylamino)-
| Molecular Formula | C8H7N5O2 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.05997 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 199535-07-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NNN=N2)C(=O)O |
| InChIKey | CJWVRTYTTSAQKQ-UHFFFAOYSA-N |
Product Overview
3-(2H-tetrazol-5-ylamino)benzoic acid (CAS 199535-07-4), with molecular formula C8H7N5O2 and molecular weight 205.06 g/mol. IUPAC: 3-(2H-tetrazol-5-ylamino)benzoic acid.
Chemical Property Profile of 3-(2H-tetrazol-5-ylamino)benzoic acid
Property Insights of 3-(2H-tetrazol-5-ylamino)benzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2H-tetrazol-5-ylamino)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2H-tetrazol-5-ylamino)benzoic acid. Following Lipinski's Rule of Five, 3-(2H-tetrazol-5-ylamino)benzoic acid has 3 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 3-(2H-tetrazol-5-ylamino)benzoic acid?
The CAS number of 3-(2H-tetrazol-5-ylamino)benzoic acid is 199535-07-4.
What is the molecular formula of 3-(2H-tetrazol-5-ylamino)benzoic acid?
The molecular formula of 3-(2H-tetrazol-5-ylamino)benzoic acid is C8H7N5O2.
What is the molecular weight of 3-(2H-tetrazol-5-ylamino)benzoic acid?
The molecular weight of 3-(2H-tetrazol-5-ylamino)benzoic acid is 205.06 g/mol.
Where can I buy 3-(2H-tetrazol-5-ylamino)benzoic acid?
You can request a quote for 3-(2H-tetrazol-5-ylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2H-tetrazol-5-ylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H-tetrazol-5-ylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.