Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-
TL;DR: Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- (CAS 80937-25-3) 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-(3,4-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid
Also Known As: 4- -4-oxo-2-hydroxybutanoicacid, 4-(3,4-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid, 4-(3,4-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid, Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-, 3,4-Dimethoxy-alpha-hydroxy-gamma-oxobenzenebutanoic acid
| 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 | 453.8809 |
Chemical Identifiers
| CAS Number | 80937-25-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC(C(=O)O)O)OC |
Product Overview
Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- (CAS 80937-25-3), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-
Property Insights of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-
The XLogP value of 0.7221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-. Following Lipinski's Rule of Five, Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- 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 Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-?
The CAS number of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- is 80937-25-3.
What is the molecular formula of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- is C12H14O6.
What is the molecular weight of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- is 254.08 g/mol.
Where can I buy Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.