beta-Nootkatol
TL;DR: beta-Nootkatol (CAS 50763-67-2) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
Also Known As: Nootkatol, BETA-NOOTKATOL, trans-nootkatol, Epinootkaol, Epinootkatol
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 50763-67-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C=C2[C@]1(C[C@@H](CC2)C(=C)C)C)O |
| InChIKey | GFNWRKNVTHDNPV-UXOAXIEHSA-N |
Product Overview
beta-Nootkatol (CAS 50763-67-2), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: (2S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.
Chemical Property Profile of beta-Nootkatol
Property Insights of beta-Nootkatol
The XLogP value of 3.9 indicates that beta-Nootkatol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, beta-Nootkatol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Nootkatol has 1 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 beta-Nootkatol?
The CAS number of beta-Nootkatol is 50763-67-2.
What is the molecular formula of beta-Nootkatol?
The molecular formula of beta-Nootkatol is C15H24O.
What is the molecular weight of beta-Nootkatol?
The molecular weight of beta-Nootkatol is 220.18 g/mol.
Where can I buy beta-Nootkatol?
You can request a quote for beta-Nootkatol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Nootkatol?
Yes, KEHONG BIO provides custom synthesis services for beta-Nootkatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.