2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
TL;DR: 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid (CAS 309720-72-7) is a chemical compound with molecular formula C8H5ClN4O2 and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(tetrazol-1-yl)benzoic acid
Also Known As: 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid, 2-chloro-4-(tetrazol-1-yl)benzoic Acid, 2-Chloro-4-(1H-tetrazol-1-yl)benzoic acid, 2-chloro-4-(1H-tetraazol-1-yl)benzoic acid, 2-chloro-4-(1,2,3,4-tetraazolyl)benzoic acid
| Molecular Formula | C8H5ClN4O2 |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 1.0139 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0101 |
| Heavy Atoms | 15 |
| Complexity | 497.34772 |
Chemical Identifiers
| CAS Number | 309720-72-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C=NN=N2)Cl)C(=O)O |
Product Overview
2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid (CAS 309720-72-7), with molecular formula C8H5ClN4O2 and molecular weight 224.01 g/mol. IUPAC: 2-chloro-4-(tetrazol-1-yl)benzoic acid.
Chemical Property Profile of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
Property Insights of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
The XLogP value of 1.0139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid?
The CAS number of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid is 309720-72-7.
What is the molecular formula of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid?
The molecular formula of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid is C8H5ClN4O2.
What is the molecular weight of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid?
The molecular weight of 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid is 224.01 g/mol.
Where can I buy 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid?
You can request a quote for 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.