1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
TL;DR: 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (CAS 5467-36-7) is a chemical compound with molecular formula C18H36N2 and molecular weight 280.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
Also Known As: 1,4-bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline, (4aS,8aS)-1,4-bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
| Molecular Formula | C18H36N2 |
|---|---|
| Molecular Weight | 280.29 g/mol |
| LogP | 4.0074 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.28784 |
| Heavy Atoms | 20 |
| Complexity | 246.59178 |
Chemical Identifiers
| CAS Number | 5467-36-7 |
|---|---|
| SMILES | CC(C)CCN1CCN(C2C1CCCC2)CCC(C)C |
Product Overview
1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (CAS 5467-36-7), with molecular formula C18H36N2 and molecular weight 280.29 g/mol. IUPAC: 1,4-bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.
Chemical Property Profile of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
Property Insights of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
The XLogP value of 4.0074 indicates that 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline has 0 hydrogen bond donor(s) and 2 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 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
The CAS number of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is 5467-36-7.
What is the molecular formula of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
The molecular formula of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is C18H36N2.
What is the molecular weight of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
The molecular weight of 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is 280.29 g/mol.
Where can I buy 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
You can request a quote for 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(3-methylbutyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.