![3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid structure](/static/products/3972/397290-81-2.webp)
3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid
TL;DR: 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid (CAS 397290-81-2) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
Also Known As: 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid, 3-({2-[(4-methylphenyl)amino]-2-oxoethyl}thio)propanoic acid, 3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid, 3-[(4-methylphenyl)carbamoylmethylsulfanyl]propanoic Acid, 3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoic acid
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 2.14142 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 389.24216 |
Chemical Identifiers
| CAS Number | 397290-81-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSCCC(=O)O |
Product Overview
3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid (CAS 397290-81-2), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid.
Chemical Property Profile of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid
Property Insights of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid
The XLogP value of 2.14142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid. Following Lipinski's Rule of Five, 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic 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 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid?
The CAS number of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid is 397290-81-2.
What is the molecular formula of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid?
The molecular formula of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid is C12H15NO3S.
What is the molecular weight of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid?
The molecular weight of 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid is 253.08 g/mol.
Where can I buy 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid?
You can request a quote for 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.