2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid
TL;DR: 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid (CAS 1008056-35-6) is a chemical compound with molecular formula C20H19FN2O4S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanylpropanoic acid
Also Known As: 2-(2-benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid, 2-[[2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanyl-propanoic Acid, 2-[[2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanylpropanoic acid
| Molecular Formula | C20H19FN2O4S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 2.529 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.10495 |
| Heavy Atoms | 28 |
| Complexity | 886.78424 |
Chemical Identifiers
| CAS Number | 1008056-35-6 |
|---|---|
| SMILES | CSCC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1F)NC(=O)C2=CC=CC=C2 |
Product Overview
2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid (CAS 1008056-35-6), with molecular formula C20H19FN2O4S and molecular weight 402.10 g/mol. IUPAC: 2-[[2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanylpropanoic acid.
Chemical Property Profile of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid
Property Insights of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid
The XLogP value of 2.529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid. Following Lipinski's Rule of Five, 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid has 3 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-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid?
The CAS number of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid is 1008056-35-6.
What is the molecular formula of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid?
The molecular formula of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid is C20H19FN2O4S.
What is the molecular weight of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid?
The molecular weight of 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid is 402.10 g/mol.
Where can I buy 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid?
You can request a quote for 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic 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-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzamido-3-(2-fluorophenyl)acrylamido)-3-(methylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.