4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid
TL;DR: 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid (CAS 81008-15-3) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid
Also Known As: 4- -4-oxo-2-hydroxybutanoicacid, 4-(3,5-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid, 4-(3,5-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid, 3,5-Dimethoxy-alpha-hydroxy-gamma-oxobenzenebutanoic acid, Benzenebutanoic acid, 3,5-dimethoxy-alpha-hydroxy-gamma-oxo-
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 0.7221 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 431.6309 |
Chemical Identifiers
| CAS Number | 81008-15-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)CC(C(=O)O)O)OC |
Product Overview
4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid (CAS 81008-15-3), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: 4-(3,5-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid
Property Insights of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid
The XLogP value of 0.7221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid?
The CAS number of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid is 81008-15-3.
What is the molecular formula of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid?
The molecular formula of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid is C12H14O6.
What is the molecular weight of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid?
The molecular weight of 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid is 254.08 g/mol.
Where can I buy 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid?
You can request a quote for 4-(3,5-Dimethoxyphenyl)-2-hydroxy-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-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.