2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid
TL;DR: 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid (CAS 368839-98-9) is a chemical compound with molecular formula C17H24ClNO3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chloroanilino)-4-oxobutan-2-yl]-5-methylhexanoic acid
Also Known As: 2-[4-(2-chloroanilino)-4-oxobutan-2-yl]-5-methylhexanoic acid, 2-{1-[(2-chlorophenyl)carbamoyl]propan-2-yl}-5-methylhexanoic acid, 2-(4-((2-chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid, 2-[1-[(2-chlorophenyl)carbamoyl]propan-2-yl]-5-methyl-hexanoic Acid, 2-{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}-5-methylhexanoic acid
| Molecular Formula | C17H24ClNO3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 4.4417 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.14447 |
| Heavy Atoms | 22 |
| Complexity | 516.38043 |
Chemical Identifiers
| CAS Number | 368839-98-9 |
|---|---|
| SMILES | CC(C)CCC(C(C)CC(=O)NC1=CC=CC=C1Cl)C(=O)O |
Product Overview
2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid (CAS 368839-98-9), with molecular formula C17H24ClNO3 and molecular weight 325.14 g/mol. IUPAC: 2-[4-(2-chloroanilino)-4-oxobutan-2-yl]-5-methylhexanoic acid.
Chemical Property Profile of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid
Property Insights of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid
The XLogP value of 4.4417 indicates that 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic 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 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid. Following Lipinski's Rule of Five, 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic 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 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid?
The CAS number of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid is 368839-98-9.
What is the molecular formula of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid?
The molecular formula of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid is C17H24ClNO3.
What is the molecular weight of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid?
The molecular weight of 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid is 325.14 g/mol.
Where can I buy 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid?
You can request a quote for 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((2-Chlorophenyl)amino)-4-oxobutan-2-yl)-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.