![2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid structure](/static/products/3384/338409-77-1.webp)
2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid
TL;DR: 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid (CAS 338409-77-1) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid, 0695AE, 3H-525S, 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylacetic acid, dimethoxyanilinooxoethylsulfanylaceticacid
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 1.4601 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 463.433 |
Chemical Identifiers
| CAS Number | 338409-77-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSCC(=O)O)OC |
Product Overview
2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid (CAS 338409-77-1), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid
Property Insights of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid
The XLogP value of 1.4601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid has 2 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid?
The CAS number of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid is 338409-77-1.
What is the molecular formula of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid?
The molecular formula of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid is C12H15NO5S.
What is the molecular weight of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid?
The molecular weight of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid is 285.07 g/mol.
Where can I buy 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid?
You can request a quote for 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-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-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.