4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid (CAS 109164-42-3) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: BAS 00942144, 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid, A2023/0084895, 2-(3-Carboxy-propionylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester, 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoicacid
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 109164-42-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC(=O)O |
| InChIKey | XZGANOSLDDHUSF-UHFFFAOYSA-N |
Product Overview
4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid (CAS 109164-42-3), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 4-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-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-phenylthiophen-2-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid is 109164-42-3.
What is the molecular formula of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid is C17H17NO5S.
What is the molecular weight of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid is 347.08 g/mol.
Where can I buy 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-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-phenylthiophen-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.