(-)-Nootkatone
TL;DR: (-)-Nootkatone (CAS 28834-25-5) 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.
(4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: (-)-Nootkatone, Nootkanone, Teflutixol, Nootkatone, (-)-, (+)-Nootkatone
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.9042 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 363.63126 |
Chemical Identifiers
| CAS Number | 28834-25-5 |
|---|---|
| SMILES | C[C@H]1CC(=O)C=C2[C@@]1(C[C@H](CC2)C(=C)C)C |
Product Overview
(-)-Nootkatone (CAS 28834-25-5), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of (-)-Nootkatone
Property Insights of (-)-Nootkatone
The XLogP value of 3.9042 indicates that (-)-Nootkatone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (-)-Nootkatone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-Nootkatone 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 (-)-Nootkatone?
The CAS number of (-)-Nootkatone is 28834-25-5.
What is the molecular formula of (-)-Nootkatone?
The molecular formula of (-)-Nootkatone is C15H22O.
What is the molecular weight of (-)-Nootkatone?
The molecular weight of (-)-Nootkatone is 218.17 g/mol.
Where can I buy (-)-Nootkatone?
You can request a quote for (-)-Nootkatone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Nootkatone?
Yes, KEHONG BIO provides custom synthesis services for (-)-Nootkatone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.