![4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid structure](/static/products/4385/438533-17-6.webp)
4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid (CAS 438533-17-6) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: 4-{[5-ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid, 4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-4-oxobutanoic acid, 3-{[5-ETHYL-3-(METHOXYCARBONYL)THIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-5-ethyl-, 3-methyl ester, 4-[(3-carbomethoxy-5-ethyl-2-thienyl)amino]-4-keto-butyric acid
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 438533-17-6 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)OC |
| InChIKey | MNPQWLRJCBDAHT-UHFFFAOYSA-N |
Product Overview
4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid (CAS 438533-17-6), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: 4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 6 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-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid is 438533-17-6.
What is the molecular formula of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid is C12H15NO5S.
What is the molecular weight of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid is 285.07 g/mol.
Where can I buy 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-Ethyl-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.