2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid
TL;DR: 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid (CAS 100587-34-6) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
Also Known As: 2-[3-(2-thienyl)acrylamido]benzoic acid, 2-(3-(2-Thienyl)acrylamido)benzoic acid, 2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid, 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid
Technical Specifications
| Molecular Formula | C14H11NO3S |
| Molecular Weight | 273.04596 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.04596 Da |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C=CC2=CC=CS2 |
| InChIKey | GERZVEHIQIUMRH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid
Property Insights of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid
The XLogP value of 3.7 indicates that 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic 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
What is the CAS number of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid?
The CAS number of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid is 100587-34-6.
What is the molecular formula of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid?
The molecular formula of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid is C14H11NO3S.
What is the molecular weight of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid?
The molecular weight of 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid is 273.04596 g/mol.
Where can I buy 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid?
You can request a quote for 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Thiophen-2-ylprop-2-enoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.