4-Methoxy-gamma-oxobenzenebutanoic acid
TL;DR: 4-Methoxy-gamma-oxobenzenebutanoic acid (CAS 3153-44-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-4-oxobutanoic acid
Also Known As: 3-(4-Methoxybenzoyl)propionic acid, 4-(4-Methoxyphenyl)-4-oxobutanoic acid, 3- propionicacid, MBPA cpd, Buflomedil Impurity 1
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 3153-44-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | OMTDIBZSUZNVJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-gamma-oxobenzenebutanoic acid (CAS 3153-44-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 4-(4-methoxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-Methoxy-gamma-oxobenzenebutanoic acid
Property Insights of 4-Methoxy-gamma-oxobenzenebutanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-gamma-oxobenzenebutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-gamma-oxobenzenebutanoic acid. Following Lipinski's Rule of Five, 4-Methoxy-gamma-oxobenzenebutanoic 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 4-Methoxy-gamma-oxobenzenebutanoic acid?
The CAS number of 4-Methoxy-gamma-oxobenzenebutanoic acid is 3153-44-4.
What is the molecular formula of 4-Methoxy-gamma-oxobenzenebutanoic acid?
The molecular formula of 4-Methoxy-gamma-oxobenzenebutanoic acid is C11H12O4.
What is the molecular weight of 4-Methoxy-gamma-oxobenzenebutanoic acid?
The molecular weight of 4-Methoxy-gamma-oxobenzenebutanoic acid is 208.07 g/mol.
Where can I buy 4-Methoxy-gamma-oxobenzenebutanoic acid?
You can request a quote for 4-Methoxy-gamma-oxobenzenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-gamma-oxobenzenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-gamma-oxobenzenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.