![Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate structure](/static/products/403/403834-71-9.png)
Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
TL;DR: Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate (CAS 403834-71-9) is a chemical compound with molecular formula C12H14FNO3S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
Also Known As: F1016-0243, methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate, methyl 3-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)propanoate, methyl 3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)propanoate, methyl 3-[(N-p-fluorophenylcarbamoyl)methylthio]propionate
| Molecular Formula | C12H14FNO3S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 2.0605 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.06784 |
| Heavy Atoms | 18 |
| Complexity | 408.28848 |
Chemical Identifiers
| CAS Number | 403834-71-9 |
|---|---|
| SMILES | COC(=O)CCSCC(=O)NC1=CC=C(C=C1)F |
Product Overview
Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate (CAS 403834-71-9), with molecular formula C12H14FNO3S and molecular weight 271.07 g/mol. IUPAC: methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate.
Chemical Property Profile of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
Property Insights of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
The XLogP value of 2.0605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[2-(4-fluoroanilino)-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-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate?
The CAS number of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate is 403834-71-9.
What is the molecular formula of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate?
The molecular formula of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate is C12H14FNO3S.
What is the molecular weight of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate?
The molecular weight of Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate is 271.07 g/mol.
Where can I buy Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate?
You can request a quote for Methyl 3-[2-(4-fluoroanilino)-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-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.