6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol
TL;DR: 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol (CAS 130-87-0) is a chemical compound with molecular formula C27H40N2O2 and molecular weight 424.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(6-methylheptoxy)quinolin-4-yl]methanol
Also Known As: Vuzin, Isooctylhydrocupreine, Vuzine, Isooctyl hydrocuprein, sec-Octylhydrocupreine
| Molecular Formula | C27H40N2O2 |
|---|---|
| Molecular Weight | 424.31 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.309 |
| Heavy Atoms | 31 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 130-87-0 |
|---|---|
| SMILES | CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCCCCCC(C)C)O |
| InChIKey | DIOGDSVVUWNLHM-UHFFFAOYSA-N |
Product Overview
6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol (CAS 130-87-0), with molecular formula C27H40N2O2 and molecular weight 424.31 g/mol. IUPAC: (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(6-methylheptoxy)quinolin-4-yl]methanol.
Chemical Property Profile of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol
Property Insights of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol
The XLogP value of 6.3 indicates that 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol?
The CAS number of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol is 130-87-0.
What is the molecular formula of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol?
The molecular formula of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol is C27H40N2O2.
What is the molecular weight of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol?
The molecular weight of 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol is 424.31 g/mol.
Where can I buy 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol?
You can request a quote for 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol?
Yes, KEHONG BIO provides custom synthesis services for 6'-((6-Methylheptyl)oxy)-10,11-dihydrocinchonan-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.