![2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid structure](/static/products/3384/338409-62-4.webp)
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
TL;DR: 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid (CAS 338409-62-4) 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-(4-methylanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid, oxotoluidinoethylsulfanylaceticacid, 2-([2-OXO-2-(4-TOLUIDINO)ETHYL]SULFANYL)ACETIC ACID, 0693AE, BAS 02977064
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 338409-62-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSCC(=O)O |
| InChIKey | RXHIHKOQEFDAFN-UHFFFAOYSA-N |
Product Overview
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid (CAS 338409-62-4), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
Property Insights of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid. Following Lipinski's Rule of Five, 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid has 2 hydrogen bond donor(s) and 4 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-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid?
The CAS number of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid is 338409-62-4.
What is the molecular formula of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid?
The molecular formula of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid is C11H13NO3S.
What is the molecular weight of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid?
The molecular weight of 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid is 239.06 g/mol.
Where can I buy 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid?
You can request a quote for 2-{[2-Oxo-2-(4-toluidino)ethyl]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-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.