3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate
TL;DR: 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate (CAS 84006-64-4) is a chemical compound with molecular formula C20H30O7 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate
Also Known As: 1-Methyl-2-((1-oxohexyl)oxy)propyl 3,4,5-trimethoxybenzoate, 3-hexanoyloxybutan-2-yl3,4,5-trimethoxybenzoate, 3-hexanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate, 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester
| Molecular Formula | C20H30O7 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 3.7697 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 382.19916 |
| Heavy Atoms | 27 |
| Complexity | 601.7514 |
Chemical Identifiers
| CAS Number | 84006-64-4 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)C(C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate (CAS 84006-64-4), with molecular formula C20H30O7 and molecular weight 382.20 g/mol. IUPAC: 3-hexanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate
Property Insights of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate
The XLogP value of 3.7697 indicates that 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate?
The CAS number of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate is 84006-64-4.
What is the molecular formula of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate is C20H30O7.
What is the molecular weight of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate is 382.20 g/mol.
Where can I buy 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.