![4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid structure](/static/products/927/92712-29-3.png)
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid
TL;DR: 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid (CAS 92712-29-3) is a chemical compound with molecular formula C11H7IN4O2 and molecular weight 353.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid
Also Known As: 4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid, 2-(1'-iodopropyn-3'-yl)-5-(p-carboxyphenyl)tetrazole, Benzoic acid, 4-[2-(3-iodo-2-propynyl)-2H-tetrazol-5-yl]-
| Molecular Formula | C11H7IN4O2 |
|---|---|
| Molecular Weight | 353.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.96136 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 92712-29-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(N=N2)CC#CI)C(=O)O |
| InChIKey | VXUWUACDOQPVMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid (CAS 92712-29-3), with molecular formula C11H7IN4O2 and molecular weight 353.96 g/mol. IUPAC: 4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid.
Chemical Property Profile of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid
Property Insights of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic 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 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid?
The CAS number of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid is 92712-29-3.
What is the molecular formula of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid?
The molecular formula of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid is C11H7IN4O2.
What is the molecular weight of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid?
The molecular weight of 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid is 353.96 g/mol.
Where can I buy 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid?
You can request a quote for 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-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 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.