![4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid structure](/static/products/3526/352683-06-8.webp)
4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid
TL;DR: 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid (CAS 352683-06-8) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 4-{[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid, 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino]-4-oxo-, (2E)-, 3-[(3-carbamoyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]prop-2-enoic Acid, (2E)-3-[N-(3-carbamoyl-4,5-dimethyl(2-thienyl))carbamoyl]prop-2-enoic acid, (2E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 1.04314 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 545.4833 |
Chemical Identifiers
| CAS Number | 352683-06-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C(=O)O)C |
Product Overview
4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid (CAS 352683-06-8), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: (E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid
Property Insights of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid
The XLogP value of 1.04314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid has 3 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 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid?
The CAS number of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid is 352683-06-8.
What is the molecular formula of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid?
The molecular formula of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid is C11H12N2O4S.
What is the molecular weight of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid?
The molecular weight of 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid is 268.05 g/mol.
Where can I buy 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid?
You can request a quote for 4-{[3-(Aminocarbonyl)-4,5-dimethyl-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-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.