![2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester structure](/static/products/3334/333422-85-8.webp)
2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
TL;DR: 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester (CAS 333422-85-8) is a chemical compound with molecular formula C12H13N5O3S and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
Also Known As: CBKinase1_008551, CBKinase1_020951, BAS 02832979, 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester, BRD-K63037913-001-01-5
| Molecular Formula | C12H13N5O3S |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 0.7275 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0739 |
| Heavy Atoms | 21 |
| Complexity | 657.8474 |
Chemical Identifiers
| CAS Number | 333422-85-8 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester (CAS 333422-85-8), with molecular formula C12H13N5O3S and molecular weight 307.07 g/mol. IUPAC: methyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
Property Insights of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
The XLogP value of 0.7275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester has 1 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 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester?
The CAS number of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester is 333422-85-8.
What is the molecular formula of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester?
The molecular formula of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester is C12H13N5O3S.
What is the molecular weight of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester?
The molecular weight of 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester is 307.07 g/mol.
Where can I buy 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester?
You can request a quote for 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.