![2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid structure](/static/products/7902/790232-20-1.webp)
2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid
TL;DR: 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 790232-20-1) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(N-methylanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-({[methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid, ({2-[methyl(phenyl)amino]-2-oxoethyl}thio)acetic acid, 2-[2-(N-methylanilino)-2-oxoethyl]sulfanylacetic acid, ((2-[methyl(phenyl)amino]-2-oxoethyl)thio)acetic acid, 2-[(methyl-phenyl-carbamoyl)methylsulfanyl]acetic Acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.4672 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 366.75223 |
Chemical Identifiers
| CAS Number | 790232-20-1 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CSCC(=O)O |
Product Overview
2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 790232-20-1), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-[2-(N-methylanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid
Property Insights of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid
The XLogP value of 1.4672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid has 1 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-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The CAS number of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid is 790232-20-1.
What is the molecular formula of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The molecular formula of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid is C11H13NO3S.
What is the molecular weight of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The molecular weight of 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid is 239.06 g/mol.
Where can I buy 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid?
You can request a quote for 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[Methyl(phenyl)carbamoyl]methyl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.