1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-
TL;DR: 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- (CAS 62331-25-3) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetraoxonane
Also Known As: 3-Butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetroxonane, 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-, 3-butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetraoxonane, 3,6,6,9,9-Pentamethyl-3-butyl-1,2,4,5-tetraoxacyclononane, 3-Butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetraoxacyclononane
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 62331-25-3 |
|---|---|
| SMILES | CCCCC1(OOC(CCC(OO1)(C)C)(C)C)C |
| InChIKey | FZWQMEIJVHBNED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- (CAS 62331-25-3), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: 3-butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetraoxonane.
Chemical Property Profile of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-
Property Insights of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-
The XLogP value of 3.9 indicates that 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- 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 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-?
The CAS number of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- is 62331-25-3.
What is the molecular formula of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-?
The molecular formula of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- is C14H28O4.
What is the molecular weight of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-?
The molecular weight of 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- is 260.20 g/mol.
Where can I buy 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-?
You can request a quote for 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetroxonane, 3-butyl-3,6,6,9,9-pentamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.