5-(3-Ethylanilino)-5-oxopentanoic acid
TL;DR: 5-(3-Ethylanilino)-5-oxopentanoic acid (CAS 544439-01-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-ethylanilino)-5-oxopentanoic acid
Also Known As: 5-(3-ethylanilino)-5-oxopentanoic acid, 4-[N-(3-ethylphenyl)carbamoyl]butanoic acid, 5-((3-ethylphenyl)amino)-5-oxopentanoic acid, 5-[(3-ethylphenyl)amino]-5-oxopentanoic acid, 4-[(3-ETHYLPHENYL)CARBAMOYL]BUTANOIC ACID
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.4424 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 401.40598 |
Chemical Identifiers
| CAS Number | 544439-01-2 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)NC(=O)CCCC(=O)O |
Product Overview
5-(3-Ethylanilino)-5-oxopentanoic acid (CAS 544439-01-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 5-(3-ethylanilino)-5-oxopentanoic acid.
Chemical Property Profile of 5-(3-Ethylanilino)-5-oxopentanoic acid
Property Insights of 5-(3-Ethylanilino)-5-oxopentanoic acid
The XLogP value of 2.4424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Ethylanilino)-5-oxopentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Ethylanilino)-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(3-Ethylanilino)-5-oxopentanoic acid has 2 hydrogen bond donor(s) and 2 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-Ethylanilino)-5-oxopentanoic acid?
The CAS number of 5-(3-Ethylanilino)-5-oxopentanoic acid is 544439-01-2.
What is the molecular formula of 5-(3-Ethylanilino)-5-oxopentanoic acid?
The molecular formula of 5-(3-Ethylanilino)-5-oxopentanoic acid is C13H17NO3.
What is the molecular weight of 5-(3-Ethylanilino)-5-oxopentanoic acid?
The molecular weight of 5-(3-Ethylanilino)-5-oxopentanoic acid is 235.12 g/mol.
Where can I buy 5-(3-Ethylanilino)-5-oxopentanoic acid?
You can request a quote for 5-(3-Ethylanilino)-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-Ethylanilino)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Ethylanilino)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.