4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid
TL;DR: 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid (CAS 55007-22-2) 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.
4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid
Also Known As: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid, 4-(2-Methoxy-5-methyl-phenyl)-4-oxo-butyric acid, 4- -4-OXO-BUTYRICACID, 5458AE, 4-(2-methoxy-5-methylphenyl)-4-oxo-butyric acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 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 | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 55007-22-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O |
| InChIKey | DAVYMGMWMJJLHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid (CAS 55007-22-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid
Property Insights of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic 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-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid?
The CAS number of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid is 55007-22-2.
What is the molecular formula of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid?
The molecular formula of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid is C12H14O4.
What is the molecular weight of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid?
The molecular weight of 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid is 222.09 g/mol.
Where can I buy 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid?
You can request a quote for 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.