3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid
TL;DR: 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 634166-19-1) is a chemical compound with molecular formula C10H9N5O3S and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid
Also Known As: BAS 07324733, 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid, 3-(5-Carbamoylmethylsulfanyl-tetrazol-1-yl)-benzoic acid, A3244/0137813, 3-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid
| Molecular Formula | C10H9N5O3S |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.0426 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 634166-19-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)N)C(=O)O |
| InChIKey | WUJHBPKAHRXETD-UHFFFAOYSA-N |
Product Overview
3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 634166-19-1), with molecular formula C10H9N5O3S and molecular weight 279.04 g/mol. IUPAC: 3-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid
Property Insights of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 7 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-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The CAS number of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid is 634166-19-1.
What is the molecular formula of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The molecular formula of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid is C10H9N5O3S.
What is the molecular weight of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The molecular weight of 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid is 279.04 g/mol.
Where can I buy 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
You can request a quote for 3-(5-((2-amino-2-oxoethyl)thio)-1H-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 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-((2-amino-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.