![2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid structure](/static/products/3391/339109-08-9.webp)
2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid
TL;DR: 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid (CAS 339109-08-9) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetic acid
Also Known As: 2-{[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid, 9H-457S, 2-({[(4-methoxyphenyl)carbamoyl](phenyl)methyl}sulfanyl)acetic acid, 2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetic acid, 2-[(4-methoxyphenyl)carbamoyl-phenyl-methyl]sulfanylacetic Acid
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.1928 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 658.0534 |
Chemical Identifiers
| CAS Number | 339109-08-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC(=O)O |
Product Overview
2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid (CAS 339109-08-9), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid
Property Insights of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid
The XLogP value of 3.1928 indicates that 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]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-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid?
The CAS number of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid is 339109-08-9.
What is the molecular formula of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid?
The molecular formula of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid is C17H17NO4S.
What is the molecular weight of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid?
The molecular weight of 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid is 331.09 g/mol.
Where can I buy 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid?
You can request a quote for 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]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-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.