2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid
TL;DR: 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid (CAS 436087-50-2) 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-(3-methylanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid, ({2-[(3-methylphenyl)amino]-2-oxoethyl}thio)acetic acid, 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetic acid, ([2-[(3-methylphenyl)amino]-2-oxoethyl]thio)acetic acid, 2-((2-Oxo-2-(m-tolylamino)ethyl)thio)acetic acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.75132 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 392.57098 |
Chemical Identifiers
| CAS Number | 436087-50-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSCC(=O)O |
Product Overview
2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid (CAS 436087-50-2), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid
Property Insights of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid
The XLogP value of 1.75132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic 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-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid?
The CAS number of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid is 436087-50-2.
What is the molecular formula of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid?
The molecular formula of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid is C11H13NO3S.
What is the molecular weight of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid?
The molecular weight of 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid is 239.06 g/mol.
Where can I buy 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid?
You can request a quote for 2-((((3-Methylphenyl)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-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((((3-Methylphenyl)carbamoyl)methyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.