4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one
TL;DR: 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one (CAS 92397-72-3) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dimethyl-2-propan-2-ylidene-1,3,3a,4,5,8a-hexahydroazulen-6-one
Also Known As: 4,8-dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one, 4,8-dimethyl-2-propan-2-ylidene-1,3,3a,4,5,8a-hexahydroazule, 4,8-dimethyl-2-propan-2-ylidene-1,3,3a,4,5,8a-hexahydroazulen-6-one, 4,8-dimethyl-2-propan-2-ylidene-1,3,3a,7,8,8a-hexahydroazulen-6-one
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 92397-72-3 |
|---|---|
| SMILES | CC1CC(=O)C=C(C2C1CC(=C(C)C)C2)C |
| InChIKey | BVZZQXFBJGQDRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one (CAS 92397-72-3), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 4,8-dimethyl-2-propan-2-ylidene-1,3,3a,4,5,8a-hexahydroazulen-6-one.
Chemical Property Profile of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one
Property Insights of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one 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 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one?
The CAS number of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one is 92397-72-3.
What is the molecular formula of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one?
The molecular formula of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one is C15H22O.
What is the molecular weight of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one?
The molecular weight of 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one is 218.17 g/mol.
Where can I buy 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one?
You can request a quote for 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Dimethyl-2-(propan-2-ylidene)-2,3,3a,4,5,8a-hexahydroazulen-6(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.