香柏酮
TL;DR: 香柏酮 (CAS 4674-50-4) 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.
香柏酮
4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: Nookatone, (+)-Nootkatone, Nootkanone, Nootkatane, Nootkatone (7CI)
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
| Melting Point | 36 °C |
Chemical Identifiers
| CAS Number | 4674-50-4 |
|---|---|
| SMILES | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C |
| InChIKey | WTOYNNBCKUYIKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香柏酮 (CAS 4674-50-4), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of 香柏酮
Property Insights of 香柏酮
The XLogP value of 3.9 indicates that 香柏酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 香柏酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香柏酮 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 香柏酮?
The CAS number of 香柏酮 is 4674-50-4.
What is the molecular formula of 香柏酮?
The molecular formula of 香柏酮 is C15H22O.
What is the molecular weight of 香柏酮?
The molecular weight of 香柏酮 is 218.17 g/mol.
Where can I buy 香柏酮?
You can request a quote for 香柏酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香柏酮?
Yes, KEHONG BIO provides custom synthesis services for 香柏酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.