(1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene
TL;DR: (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene (CAS 3321-66-2) 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.
(1S,2S,5S,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
Also Known As: Kessane, (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 4.0163 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 295.8101 |
Chemical Identifiers
| CAS Number | 3321-66-2 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@H]1C[C@@H]3CC[C@@]2(OC3(C)C)C |
Product Overview
(1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene (CAS 3321-66-2), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: (1S,2S,5S,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane.
Chemical Property Profile of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene
Property Insights of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene
The XLogP value of 4.0163 indicates that (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene 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 (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene?
The CAS number of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene is 3321-66-2.
What is the molecular formula of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene?
The molecular formula of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene is C15H26O.
What is the molecular weight of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene?
The molecular weight of (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene is 222.20 g/mol.
Where can I buy (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene?
You can request a quote for (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene?
Yes, KEHONG BIO provides custom synthesis services for (1S,3aS,4S,7S,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.