Isokessane
TL;DR: Isokessane (CAS 177019-46-4) is a chemical compound with molecular formula C15H26O and molecular weight 222.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
Also Known As: Isokessane, Kessane, b-Kessane, 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecane, (1R,3aR,4S,7R,8aR)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 177019-46-4 |
|---|---|
| SMILES | CC1CCC2C1CC3CCC2(OC3(C)C)C |
| InChIKey | QRVMFXFSGYDNJI-UHFFFAOYSA-N |
Product Overview
Isokessane (CAS 177019-46-4), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane.
Chemical Property Profile of Isokessane
Property Insights of Isokessane
The XLogP value of 3.8 indicates that Isokessane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Isokessane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isokessane has 0 hydrogen bond donor(s) and 1 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 Isokessane?
The CAS number of Isokessane is 177019-46-4.
What is the molecular formula of Isokessane?
The molecular formula of Isokessane is C15H26O.
What is the molecular weight of Isokessane?
The molecular weight of Isokessane is 222.20 g/mol.
Where can I buy Isokessane?
You can request a quote for Isokessane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isokessane?
Yes, KEHONG BIO provides custom synthesis services for Isokessane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.