Sesquicineole
TL;DR: Sesquicineole (CAS 90131-02-5) 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.
1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane
Also Known As: Sesquicineole, Sesquicineol, 3,7-Epoxy-10-bisabolene, 3,7-Oxido-10-bisabolene, BISABOL-10-ENE,3,7-OXIDE
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 90131-02-5 |
|---|---|
| SMILES | CC(=CCCC1(C2CCC(O1)(CC2)C)C)C |
| InChIKey | BAQRIYKLDIPFQB-UHFFFAOYSA-N |
Product Overview
Sesquicineole (CAS 90131-02-5), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: 1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane.
Chemical Property Profile of Sesquicineole
Property Insights of Sesquicineole
The XLogP value of 4.5 indicates that Sesquicineole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Sesquicineole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sesquicineole 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 Sesquicineole?
The CAS number of Sesquicineole is 90131-02-5.
What is the molecular formula of Sesquicineole?
The molecular formula of Sesquicineole is C15H26O.
What is the molecular weight of Sesquicineole?
The molecular weight of Sesquicineole is 222.20 g/mol.
Where can I buy Sesquicineole?
You can request a quote for Sesquicineole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sesquicineole?
Yes, KEHONG BIO provides custom synthesis services for Sesquicineole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.