![4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid structure](/static/products/1091/109164-43-4.webp)
4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid (CAS 109164-43-4) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: Maybridge3_000092, IDI1_011479, 4-{[3-(ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid, 3-{[3-(ethoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl]carbamoyl}propanoic acid, 3-{N-[3-(ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]carbamoyl}propanoic acid
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.70352 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 782.26416 |
Chemical Identifiers
| CAS Number | 109164-43-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCC(=O)O |
Product Overview
4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid (CAS 109164-43-4), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: 4-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid
The XLogP value of 3.70352 indicates that 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic 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-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid is 109164-43-4.
What is the molecular formula of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid is C18H19NO5S.
What is the molecular weight of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid is 361.10 g/mol.
Where can I buy 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-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-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(Ethoxycarbonyl)-5-methyl-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.