4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester
TL;DR: 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester (CAS 332176-87-1) is a chemical compound with molecular formula C14H9ClN4O2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(tetrazol-1-yl)phenyl] 4-chlorobenzoate
Also Known As: [3-(tetrazol-1-yl)phenyl] 4-chlorobenzoate, 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester, BAS 01280132, 3-(1H-Tetrazol-1-yl)phenyl 4-chlorobenzoate, 3-(1H-tetraazol-1-yl)phenyl 4-chlorobenzoate
| Molecular Formula | C14H9ClN4O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 2.5349 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0414 |
| Heavy Atoms | 21 |
| Complexity | 756.9099 |
Chemical Identifiers
| CAS Number | 332176-87-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)N3C=NN=N3 |
Product Overview
4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester (CAS 332176-87-1), with molecular formula C14H9ClN4O2 and molecular weight 300.04 g/mol. IUPAC: [3-(tetrazol-1-yl)phenyl] 4-chlorobenzoate.
Chemical Property Profile of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester
Property Insights of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester
The XLogP value of 2.5349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester. Following Lipinski's Rule of Five, 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester has 0 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 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester?
The CAS number of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester is 332176-87-1.
What is the molecular formula of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester?
The molecular formula of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester is C14H9ClN4O2.
What is the molecular weight of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester?
The molecular weight of 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester is 300.04 g/mol.
Where can I buy 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester?
You can request a quote for 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.