![Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate structure](/static/products/3391/339108-40-6.webp)
Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate
TL;DR: Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate (CAS 339108-40-6) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylacetate
Also Known As: methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate, methyl 2-[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylacetate, methyl 2-({[(3,4-dimethylphenyl)carbamoyl](phenyl)methyl}sulfanyl)acetate, methyl2-({[(3,4-dimethylphenyl)carbamoyl](phenyl)methyl}sulfanyl)acetate
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 3.88944 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 715.80676 |
Chemical Identifiers
| CAS Number | 339108-40-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC(=O)OC)C |
Product Overview
Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate (CAS 339108-40-6), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: methyl 2-[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylacetate.
Chemical Property Profile of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate
Property Insights of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate
The XLogP value of 3.88944 indicates that Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate has 1 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 Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate?
The CAS number of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate is 339108-40-6.
What is the molecular formula of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate?
The molecular formula of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate is C19H21NO3S.
What is the molecular weight of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate?
The molecular weight of Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate is 343.12 g/mol.
Where can I buy Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate?
You can request a quote for Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.