3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid
TL;DR: 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid (CAS 634166-13-5) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-ethylsulfanyltetrazol-1-yl)benzoic acid
Also Known As: BAS 07324731, 3-(5-ethylsulfanyltetrazol-1-yl)benzoic acid, 3-(5-Ethylsulfanyl-tetrazol-1-yl)-benzoic acid, 3-(5-(ethylthio)-1H-tetrazol-1-yl)benzoic acid, AN-465/42154547
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 634166-13-5 |
|---|---|
| SMILES | CCSC1=NN=NN1C2=CC=CC(=C2)C(=O)O |
| InChIKey | PHCKERRHPVHIAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid (CAS 634166-13-5), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 3-(5-ethylsulfanyltetrazol-1-yl)benzoic acid.
Chemical Property Profile of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid
Property Insights of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid has 1 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-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid?
The CAS number of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid is 634166-13-5.
What is the molecular formula of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid?
The molecular formula of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid is C10H10N4O2S.
What is the molecular weight of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid?
The molecular weight of 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid is 250.05 g/mol.
Where can I buy 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid?
You can request a quote for 3-(5-Ethylsulfanyltetrazol-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 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Ethylsulfanyltetrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.