Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-
TL;DR: Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- (CAS 100587-60-8) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]benzoic acid
Also Known As: 2-(3-(3-Thienyl)acrylamido)benzoic acid, 2-((1-Oxo-3-(3-thienyl)-2-propenyl)amino)benzoic acid, Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-, 2-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]benzoic acid, Benzoic acid, 2-[[3-(1H-imidazol-4-yl)-1-oxo-2-propenyl]amino]-
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 3.0982 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 617.3811 |
Chemical Identifiers
| CAS Number | 100587-60-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CSC=C2 |
Product Overview
Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- (CAS 100587-60-8), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 2-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-
Property Insights of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-
The XLogP value of 3.0982 indicates that Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- has 2 hydrogen bond donor(s) and 3 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 Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-?
The CAS number of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- is 100587-60-8.
What is the molecular formula of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-?
The molecular formula of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- is C14H11NO3S.
What is the molecular weight of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-?
The molecular weight of Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- is 273.05 g/mol.
Where can I buy Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-?
You can request a quote for Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((1-oxo-3-(3-thienyl)-2-propenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.