![(E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/4449/444908-73-0.webp)
(E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid (CAS 444908-73-0) is a chemical compound with molecular formula C12H13NO5S and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid, 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-, 3-ethyl ester, (2E)-4-[[3-(ETHOXYCARBONYL)-5-METHYL-2-THIENYL]AMINO]-4-OXOBUT-2-ENOIC ACID, (2E)-4-{[3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
| Molecular Formula | C12H13NO5S |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 1.81252 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.05145 |
| Heavy Atoms | 19 |
| Complexity | 532.2221 |
Chemical Identifiers
| CAS Number | 444908-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C)NC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid (CAS 444908-73-0), with molecular formula C12H13NO5S and molecular weight 283.05 g/mol. IUPAC: (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.81252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic 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 (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid is 444908-73-0.
What is the molecular formula of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid is C12H13NO5S.
What is the molecular weight of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid is 283.05 g/mol.
Where can I buy (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.