![2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid structure](/static/products/3989/398997-40-5.webp)
2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid
TL;DR: 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 398997-40-5) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid, 2-({2-[(4-methylphenyl)amino]-2-oxoethyl}thio)benzoic acid, 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoic acid, 2-[(4-methylphenyl)carbamoylmethylsulfanyl]benzoic Acid, 2-{[N-(4-methylphenyl)carbamoyl]methylthio}benzoic acid
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.42402 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 652.8266 |
Chemical Identifiers
| CAS Number | 398997-40-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 398997-40-5), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid
Property Insights of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid
The XLogP value of 3.42402 indicates that 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid has 2 hydrogen bond donor(s) and 3 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-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The CAS number of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid is 398997-40-5.
What is the molecular formula of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular formula of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid is C16H15NO3S.
What is the molecular weight of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid?
The molecular weight of 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid is 301.08 g/mol.
Where can I buy 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid?
You can request a quote for 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.