5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid
TL;DR: 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid (CAS 4609-10-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-5-oxopentanoic acid
Also Known As: 5-(4-Methoxyphenyl)-5-oxopentanoic acid, 5-(4-Methoxyphenyl)-5-oxovaleric acid, gamma-anisoylbutyric acid, 5- -5-oxopentanoicacid, 4-(4-methoxybenzoyl)butyric acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 4609-10-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCCC(=O)O |
| InChIKey | UAMMMFTXGWKQLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid (CAS 4609-10-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 5-(4-methoxyphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid
Property Insights of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid. Following Lipinski's Rule of Five, 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid has 1 hydrogen bond donor(s) and 4 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-Methoxy-phenyl)-5-oxo-pentanoic acid?
The CAS number of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid is 4609-10-3.
What is the molecular formula of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid?
The molecular formula of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid is C12H14O4.
What is the molecular weight of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid?
The molecular weight of 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid is 222.09 g/mol.
Where can I buy 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid?
You can request a quote for 5-(4-Methoxy-phenyl)-5-oxo-pentanoic 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-Methoxy-phenyl)-5-oxo-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxy-phenyl)-5-oxo-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.