5-(2-Isopropylanilino)-5-oxopentanoic acid
TL;DR: 5-(2-Isopropylanilino)-5-oxopentanoic acid (CAS 545347-12-4) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
Also Known As: 5-(2-isopropylanilino)-5-oxopentanoic acid, 5-oxo-5-(2-propan-2-ylanilino)pentanoic acid, 5-((2-isopropylphenyl)amino)-5-oxopentanoic acid, 4-{N-[2-(methylethyl)phenyl]carbamoyl}butanoic acid, 5-oxo-5-{[2-(propan-2-yl)phenyl]amino}pentanoic acid
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 3.0034 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 426.80222 |
Chemical Identifiers
| CAS Number | 545347-12-4 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)CCCC(=O)O |
Product Overview
5-(2-Isopropylanilino)-5-oxopentanoic acid (CAS 545347-12-4), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 5-oxo-5-(2-propan-2-ylanilino)pentanoic acid.
Chemical Property Profile of 5-(2-Isopropylanilino)-5-oxopentanoic acid
Property Insights of 5-(2-Isopropylanilino)-5-oxopentanoic acid
The XLogP value of 3.0034 indicates that 5-(2-Isopropylanilino)-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Isopropylanilino)-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(2-Isopropylanilino)-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-(2-Isopropylanilino)-5-oxopentanoic acid?
The CAS number of 5-(2-Isopropylanilino)-5-oxopentanoic acid is 545347-12-4.
What is the molecular formula of 5-(2-Isopropylanilino)-5-oxopentanoic acid?
The molecular formula of 5-(2-Isopropylanilino)-5-oxopentanoic acid is C14H19NO3.
What is the molecular weight of 5-(2-Isopropylanilino)-5-oxopentanoic acid?
The molecular weight of 5-(2-Isopropylanilino)-5-oxopentanoic acid is 249.14 g/mol.
Where can I buy 5-(2-Isopropylanilino)-5-oxopentanoic acid?
You can request a quote for 5-(2-Isopropylanilino)-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-(2-Isopropylanilino)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Isopropylanilino)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.