![Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate structure](/static/products/403/403835-57-4.png)
Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
TL;DR: Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate (CAS 403835-57-4) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
Also Known As: methyl 3-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)propanoate, F1016-0369, methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate, methyl 3-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)propanoate
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.53824 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 460.00433 |
Chemical Identifiers
| CAS Number | 403835-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSCCC(=O)OC)C |
Product Overview
Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate (CAS 403835-57-4), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate.
Chemical Property Profile of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
Property Insights of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
The XLogP value of 2.53824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate 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 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate?
The CAS number of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate is 403835-57-4.
What is the molecular formula of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate?
The molecular formula of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate is C14H19NO3S.
What is the molecular weight of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate?
The molecular weight of Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate is 281.11 g/mol.
Where can I buy Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate?
You can request a quote for Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.