4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid
TL;DR: 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid (CAS 63213-94-5) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-methoxyphenyl)-4-oxobutanoic acid
Also Known As: 4-(5-chloro-2-methoxyphenyl)-4-oxobutanoic acid, 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid, 4-Chloro-2,4-dimethylhexane, 4-(5-Chloro-2-methoxyphenyl)-4-oxobutyric acid, ASN 13704756
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 2.3961 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 414.44562 |
Chemical Identifiers
| CAS Number | 63213-94-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)CCC(=O)O |
Product Overview
4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid (CAS 63213-94-5), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: 4-(5-chloro-2-methoxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid
Property Insights of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid
The XLogP value of 2.3961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid. Following Lipinski's Rule of Five, 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid has 1 hydrogen bond donor(s) and 3 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 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid?
The CAS number of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid is 63213-94-5.
What is the molecular formula of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid?
The molecular formula of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid is C11H11ClO4.
What is the molecular weight of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid?
The molecular weight of 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid is 242.03 g/mol.
Where can I buy 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid?
You can request a quote for 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chloro-2-methoxy-phenyl)-4-oxo-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.