5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid
TL;DR: 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid (CAS 797014-94-9) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoic acid
Also Known As: 5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoic acid, 5-((4-(ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid, 5-{[4-(ethoxycarbonyl)phenyl]amino}-2-ethyl-5-oxopentanoic acid
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 797014-94-9 |
|---|---|
| SMILES | CCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)O |
| InChIKey | XTZMIYZBHFHFDT-UHFFFAOYSA-N |
Product Overview
5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid (CAS 797014-94-9), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: 5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoic acid.
Chemical Property Profile of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid
Property Insights of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-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-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid?
The CAS number of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid is 797014-94-9.
What is the molecular formula of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid?
The molecular formula of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid is C16H21NO5.
What is the molecular weight of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid?
The molecular weight of 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid is 307.14 g/mol.
Where can I buy 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid?
You can request a quote for 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-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-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-(Ethoxycarbonyl)phenyl)amino)-2-ethyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.