1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-
TL;DR: 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- (CAS 71832-77-4) is a chemical compound with molecular formula C17H30O4 and molecular weight 298.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R)-2-(hexoxymethyl)-4,5-dimethyl-3,6-dioxooctanal
Also Known As: 2-Hexoxyacetaldehyde dipropylene glycol acetal, 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-, 1,3,6-Trioxocane, 2-[(hexyloxy)methyl]dimethyl-, (2R,4S,5R)-2-(hexoxymethyl)-4,5-dimethyl-3,6-dioxooctanal, RefChem:217584
| Molecular Formula | C17H30O4 |
|---|---|
| Molecular Weight | 298.21 g/mol |
| LogP | 3.2188 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 298.21442 |
| Heavy Atoms | 21 |
| Complexity | 324.7518 |
Chemical Identifiers
| CAS Number | 71832-77-4 |
|---|---|
| SMILES | CCCCCCOC[C@H](C=O)C(=O)[C@@H](C)[C@@H](C)C(=O)CC |
Product Overview
1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- (CAS 71832-77-4), with molecular formula C17H30O4 and molecular weight 298.21 g/mol. IUPAC: (2R,4S,5R)-2-(hexoxymethyl)-4,5-dimethyl-3,6-dioxooctanal.
Chemical Property Profile of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-
Property Insights of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-
The XLogP value of 3.2188 indicates that 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-. Following Lipinski's Rule of Five, 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- has 0 hydrogen bond donor(s) and 4 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 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-?
The CAS number of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- is 71832-77-4.
What is the molecular formula of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-?
The molecular formula of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- is C17H30O4.
What is the molecular weight of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-?
The molecular weight of 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- is 298.21 g/mol.
Where can I buy 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-?
You can request a quote for 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-Trioxocane, 2-((hexyloxy)methyl)dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.