![Methyl 3-[2-(acetylamino)-3-thienyl]acrylate structure](/static/products/116/1164534-21-7.png)
Methyl 3-[2-(acetylamino)-3-thienyl]acrylate
TL;DR: Methyl 3-[2-(acetylamino)-3-thienyl]acrylate (CAS 1164534-21-7) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(2-acetamidothiophen-3-yl)prop-2-enoate
Also Known As: methyl 3-[2-(acetylamino)-3-thienyl]acrylate, AI-942/13331372, methyl (E)-3-(2-acetamidothiophen-3-yl)prop-2-enoate
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 1.8927 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 395.1267 |
Chemical Identifiers
| CAS Number | 1164534-21-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CS1)/C=C/C(=O)OC |
Product Overview
Methyl 3-[2-(acetylamino)-3-thienyl]acrylate (CAS 1164534-21-7), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: methyl (E)-3-(2-acetamidothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate
Property Insights of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate
The XLogP value of 1.8927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-(acetylamino)-3-thienyl]acrylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[2-(acetylamino)-3-thienyl]acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[2-(acetylamino)-3-thienyl]acrylate 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-(acetylamino)-3-thienyl]acrylate?
The CAS number of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate is 1164534-21-7.
What is the molecular formula of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate?
The molecular formula of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate is C10H11NO3S.
What is the molecular weight of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate?
The molecular weight of Methyl 3-[2-(acetylamino)-3-thienyl]acrylate is 225.05 g/mol.
Where can I buy Methyl 3-[2-(acetylamino)-3-thienyl]acrylate?
You can request a quote for Methyl 3-[2-(acetylamino)-3-thienyl]acrylate 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-(acetylamino)-3-thienyl]acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(acetylamino)-3-thienyl]acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.