![5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid structure](/static/products/737/737769-75-4.png)
5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid
TL;DR: 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CAS 737769-75-4) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
Also Known As: 5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid, 5-[(4-chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid, AS-662/43412911, 4-[(4-chlorophenyl)carbamoyl]-3,3-dimethyl-butanoic Acid
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 3.1695 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 440.0545 |
Chemical Identifiers
| CAS Number | 737769-75-4 |
|---|---|
| SMILES | CC(C)(CC(=O)NC1=CC=C(C=C1)Cl)CC(=O)O |
Product Overview
5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CAS 737769-75-4), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: 5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid.
Chemical Property Profile of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid
Property Insights of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid
The XLogP value of 3.1695 indicates that 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-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-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-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-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The CAS number of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid is 737769-75-4.
What is the molecular formula of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The molecular formula of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid is C13H16ClNO3.
What is the molecular weight of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The molecular weight of 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid is 269.08 g/mol.
Where can I buy 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
You can request a quote for 5-[(4-Chlorophenyl)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-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chlorophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.