Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-
TL;DR: Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- (CAS 84386-08-3) is a chemical compound with molecular formula C13H16O7 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-oxo-4-(2,4,5-trimethoxyphenyl)butanoic acid
Also Known As: 4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid, Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-, alpha-Hydroxy-gamma-oxo-2,4,5-trimethoxybenzenebutanoic acid, 2-hydroxy-4-oxo-4-(2,4,5-trimethoxyphenyl)butanoic acid, RefChem:1078376
| Molecular Formula | C13H16O7 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 0.7307 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 284.0896 |
| Heavy Atoms | 20 |
| Complexity | 509.68628 |
Chemical Identifiers
| CAS Number | 84386-08-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)CC(C(=O)O)O)OC)OC |
Product Overview
Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- (CAS 84386-08-3), with molecular formula C13H16O7 and molecular weight 284.09 g/mol. IUPAC: 2-hydroxy-4-oxo-4-(2,4,5-trimethoxyphenyl)butanoic acid.
Chemical Property Profile of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-
Property Insights of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-
The XLogP value of 0.7307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-. Following Lipinski's Rule of Five, Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- has 2 hydrogen bond donor(s) and 6 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, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-?
The CAS number of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- is 84386-08-3.
What is the molecular formula of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-?
The molecular formula of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- is C13H16O7.
What is the molecular weight of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-?
The molecular weight of Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- is 284.09 g/mol.
Where can I buy Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-?
You can request a quote for Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.