![[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate structure](/static/products/7224/722486-40-0.webp)
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate
TL;DR: [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate (CAS 722486-40-0) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate
Also Known As: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate|2-[2-(Methylsulfanyl)anilino]-2-oxoethyl 4-hydroxybenzoate|MLS000773431|SMR000364129
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.9096 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 670.10095 |
Chemical Identifiers
| CAS Number | 722486-40-0 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)O |
Product Overview
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate (CAS 722486-40-0), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate.
Chemical Property Profile of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate
Property Insights of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate
The XLogP value of 2.9096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate. Following Lipinski's Rule of Five, [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate has 2 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 [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate?
The CAS number of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate is 722486-40-0.
What is the molecular formula of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate?
The molecular formula of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate is C16H15NO4S.
What is the molecular weight of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate?
The molecular weight of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate is 317.07 g/mol.
Where can I buy [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate?
You can request a quote for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.