(E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate
TL;DR: (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate (CAS 375828-53-8) is a chemical compound with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate
Also Known As: (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate, Ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate, ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate, Ethyl 4-[2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate, 4-[(E)-2-Benzoylamino-3-(4-methylsulfanyl-phenyl)-acryloyl]-piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C24H27N3O4S |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 3.4801 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.17224 |
| Heavy Atoms | 32 |
| Complexity | 968.49866 |
Chemical Identifiers
| CAS Number | 375828-53-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)SC)/NC(=O)C3=CC=CC=C3 |
Product Overview
(E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate (CAS 375828-53-8), with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol. IUPAC: ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate.
Chemical Property Profile of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate
Property Insights of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate
The XLogP value of 3.4801 indicates that (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 5 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 (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate?
The CAS number of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate is 375828-53-8.
What is the molecular formula of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate?
The molecular formula of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate is C24H27N3O4S.
What is the molecular weight of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate?
The molecular weight of (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate is 453.17 g/mol.
Where can I buy (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate?
You can request a quote for (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-benzamido-3-(4-(methylthio)phenyl)acryloyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.