![4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid structure](/static/products/4449/444905-98-0.webp)
4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
TL;DR: 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid (CAS 444905-98-0) is a chemical compound with molecular formula C19H21NO6S and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
Also Known As: 4-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid, 4-{[3-(ethoxycarbonyl)-4-(4-ethoxyphenyl)-2-thienyl]amino}-4-oxobutanoic acid, 3-{[3-(ETHOXYCARBONYL)-4-(4-ETHOXYPHENYL)THIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-{N-[3-(ethoxycarbonyl)-4-(4-ethoxyphenyl)-2-thienyl]carbamoyl}propanoic acid, 4-{[3-(ethoxycarbonyl)-4-(4-ethoxyphenyl)thiophen-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C19H21NO6S |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 3.7938 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.10895 |
| Heavy Atoms | 27 |
| Complexity | 812.1074 |
Chemical Identifiers
| CAS Number | 444905-98-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC(=O)O |
Product Overview
4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid (CAS 444905-98-0), with molecular formula C19H21NO6S and molecular weight 391.11 g/mol. IUPAC: 4-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
Property Insights of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
The XLogP value of 3.7938 indicates that 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]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-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
The CAS number of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid is 444905-98-0.
What is the molecular formula of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
The molecular formula of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid is C19H21NO6S.
What is the molecular weight of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
The molecular weight of 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid is 391.11 g/mol.
Where can I buy 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
You can request a quote for 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]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-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-Ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.