Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester
TL;DR: Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester (CAS 84006-63-3) is a chemical compound with molecular formula C18H26O5 and molecular weight 322.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexanoyloxybutan-2-yl 4-methoxybenzoate
Also Known As: 1-Methyl-2-((1-oxohexyl)oxy)propyl 4-methoxybenzoate, 3-hexanoyloxybutan-2-yl 4-methoxybenzoate, 3-(Hexanoyloxy)butan-2-yl 4-methoxybenzoate, Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester, RefChem:1079195
| Molecular Formula | C18H26O5 |
|---|---|
| Molecular Weight | 322.18 g/mol |
| LogP | 3.7525 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.178 |
| Heavy Atoms | 23 |
| Complexity | 494.63834 |
Chemical Identifiers
| CAS Number | 84006-63-3 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)C(C)OC(=O)C1=CC=C(C=C1)OC |
Product Overview
Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester (CAS 84006-63-3), with molecular formula C18H26O5 and molecular weight 322.18 g/mol. IUPAC: 3-hexanoyloxybutan-2-yl 4-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester
Property Insights of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester
The XLogP value of 3.7525 indicates that Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester has 0 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 Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester?
The CAS number of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester is 84006-63-3.
What is the molecular formula of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester?
The molecular formula of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester is C18H26O5.
What is the molecular weight of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester?
The molecular weight of Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester is 322.18 g/mol.
Where can I buy Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester?
You can request a quote for Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.