![4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid structure](/static/products/4449/444937-76-2.webp)
4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid
TL;DR: 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid (CAS 444937-76-2) is a chemical compound with molecular formula C14H17NO5S and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(4,5-dimethyl-3-propoxycarbonylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 4-{[4,5-dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid, (E)-4-[(4,5-dimethyl-3-propoxycarbonylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-4-{[4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid, (E)-4-((4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-yl)amino)-4-oxobut-2-enoic acid, (E)-4-{[4,5-DIMETHYL-3-(PROPOXYCARBONYL)-2-THIENYL]AMINO}-4-OXO-2-BUTENOIC ACID
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.51104 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 588.43 |
Chemical Identifiers
| CAS Number | 444937-76-2 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C(=O)O |
Product Overview
4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid (CAS 444937-76-2), with molecular formula C14H17NO5S and molecular weight 311.08 g/mol. IUPAC: (E)-4-[(4,5-dimethyl-3-propoxycarbonylthiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid
Property Insights of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid
The XLogP value of 2.51104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid has 2 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 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid?
The CAS number of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid is 444937-76-2.
What is the molecular formula of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid?
The molecular formula of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid is C14H17NO5S.
What is the molecular weight of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid?
The molecular weight of 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid is 311.08 g/mol.
Where can I buy 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid?
You can request a quote for 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4,5-Dimethyl-3-(propoxycarbonyl)-2-thienyl]amino}-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.