5-(3-Methoxyphenyl)-5-oxovaleric acid
TL;DR: 5-(3-Methoxyphenyl)-5-oxovaleric acid (CAS 845781-34-2) 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-(3-methoxyphenyl)-5-oxopentanoic acid
Also Known As: 5-(3-Methoxyphenyl)-5-oxovaleric acid, 5-(3-methoxyphenyl)-5-oxopentanoic acid, 5- -5-OXOVALERICACID, 5-(3-Methoxyphenyl)-5-oxovalericacid, delta-Oxo-3-methoxybenzenevaleric acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.1328 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 384.36008 |
Chemical Identifiers
| CAS Number | 845781-34-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)CCCC(=O)O |
Product Overview
5-(3-Methoxyphenyl)-5-oxovaleric acid (CAS 845781-34-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 5-(3-methoxyphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 5-(3-Methoxyphenyl)-5-oxovaleric acid
Property Insights of 5-(3-Methoxyphenyl)-5-oxovaleric acid
The XLogP value of 2.1328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methoxyphenyl)-5-oxovaleric acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methoxyphenyl)-5-oxovaleric acid. Following Lipinski's Rule of Five, 5-(3-Methoxyphenyl)-5-oxovaleric 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 5-(3-Methoxyphenyl)-5-oxovaleric acid?
The CAS number of 5-(3-Methoxyphenyl)-5-oxovaleric acid is 845781-34-2.
What is the molecular formula of 5-(3-Methoxyphenyl)-5-oxovaleric acid?
The molecular formula of 5-(3-Methoxyphenyl)-5-oxovaleric acid is C12H14O4.
What is the molecular weight of 5-(3-Methoxyphenyl)-5-oxovaleric acid?
The molecular weight of 5-(3-Methoxyphenyl)-5-oxovaleric acid is 222.09 g/mol.
Where can I buy 5-(3-Methoxyphenyl)-5-oxovaleric acid?
You can request a quote for 5-(3-Methoxyphenyl)-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methoxyphenyl)-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methoxyphenyl)-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.