4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid
TL;DR: 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid (CAS 499197-16-9) is a chemical compound with molecular formula C15H20O6 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethylbutanoyloxy)-3,5-dimethoxybenzoic acid
Also Known As: 4-(2-ethylbutanoyloxy)-3,5-dimethoxybenzoic acid, 4-[(2-ethylbutanoyl)oxy]-3,5-dimethoxybenzoic acid, AO-854/40962807
| Molecular Formula | C15H20O6 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.7436 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.12598 |
| Heavy Atoms | 21 |
| Complexity | 493.8903 |
Chemical Identifiers
| CAS Number | 499197-16-9 |
|---|---|
| SMILES | CCC(CC)C(=O)OC1=C(C=C(C=C1OC)C(=O)O)OC |
Product Overview
4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid (CAS 499197-16-9), with molecular formula C15H20O6 and molecular weight 296.13 g/mol. IUPAC: 4-(2-ethylbutanoyloxy)-3,5-dimethoxybenzoic acid.
Chemical Property Profile of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid
Property Insights of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid
The XLogP value of 2.7436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid has 1 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-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid?
The CAS number of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid is 499197-16-9.
What is the molecular formula of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid?
The molecular formula of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid is C15H20O6.
What is the molecular weight of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid?
The molecular weight of 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid is 296.13 g/mol.
Where can I buy 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid?
You can request a quote for 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic 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-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Ethylbutanoyloxy)-3,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.