5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid
TL;DR: 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid (CAS 461439-27-0) is a chemical compound with molecular formula C20H23NO5S and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
Also Known As: 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid, 4-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]-3,3-dimethyl-butanoic Acid, 5-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid, 5-{[3-(ethoxycarbonyl)-4-phenylthiophen-2-yl]amino}-3,3-dimethyl-5-oxopentanoic acid
| Molecular Formula | C20H23NO5S |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.4213 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.1297 |
| Heavy Atoms | 27 |
| Complexity | 826.1525 |
Chemical Identifiers
| CAS Number | 461439-27-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC(C)(C)CC(=O)O |
Product Overview
5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid (CAS 461439-27-0), with molecular formula C20H23NO5S and molecular weight 389.13 g/mol. IUPAC: 5-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid.
Chemical Property Profile of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid
Property Insights of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid
The XLogP value of 4.4213 indicates that 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic 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 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic 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 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid?
The CAS number of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid is 461439-27-0.
What is the molecular formula of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid?
The molecular formula of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid is C20H23NO5S.
What is the molecular weight of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid?
The molecular weight of 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid is 389.13 g/mol.
Where can I buy 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid?
You can request a quote for 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-(ethoxycarbonyl)-4-phenylthiophen-2-yl)amino)-3,3-dimethyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.