2-(Acetylamino)-3-(2-thienyl)-acrylic acid
TL;DR: 2-(Acetylamino)-3-(2-thienyl)-acrylic acid (CAS 83396-73-0) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-thiophen-2-ylprop-2-enoic acid
Also Known As: ChemDiv3_004031, 2-acetamido-3-thiophen-2-ylprop-2-enoic acid, 2-(ACETYLAMINO)-3-(2-THIENYL)-ACRYLIC ACID, 2-(acetylamino)-3-(2-thienyl)-2-propenoic acid, 2-acetamido-3-(2-thienyl)prop-2-enoic acid
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 83396-73-0 |
|---|---|
| SMILES | CC(=O)NC(=CC1=CC=CS1)C(=O)O |
| InChIKey | GIYLBBHMKLRLOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetylamino)-3-(2-thienyl)-acrylic acid (CAS 83396-73-0), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 2-acetamido-3-thiophen-2-ylprop-2-enoic acid.
Chemical Property Profile of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid
Property Insights of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-3-(2-thienyl)-acrylic acid. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-3-(2-thienyl)-acrylic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-3-(2-thienyl)-acrylic acid has 2 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-(Acetylamino)-3-(2-thienyl)-acrylic acid?
The CAS number of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid is 83396-73-0.
What is the molecular formula of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid?
The molecular formula of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid is C9H9NO3S.
What is the molecular weight of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid?
The molecular weight of 2-(Acetylamino)-3-(2-thienyl)-acrylic acid is 211.03 g/mol.
Where can I buy 2-(Acetylamino)-3-(2-thienyl)-acrylic acid?
You can request a quote for 2-(Acetylamino)-3-(2-thienyl)-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-3-(2-thienyl)-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-3-(2-thienyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.