beta-Rotunol
TL;DR: beta-Rotunol (CAS 24405-57-0) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
Also Known As: beta-Rotunol, A-Rotunol, ?-Rotunol, (+)-, ?-Rotunol
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.0191 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 407.1449 |
Chemical Identifiers
| CAS Number | 24405-57-0 |
|---|---|
| SMILES | CC1=CC(=O)C[C@]2([C@@]1(C[C@@H](CC2)C(=C)C)O)C |
Product Overview
beta-Rotunol (CAS 24405-57-0), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one.
Chemical Property Profile of beta-Rotunol
Property Insights of beta-Rotunol
The XLogP value of 3.0191 indicates that beta-Rotunol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, beta-Rotunol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Rotunol has 1 hydrogen bond donor(s) and 2 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-Rotunol?
The CAS number of beta-Rotunol is 24405-57-0.
What is the molecular formula of beta-Rotunol?
The molecular formula of beta-Rotunol is C15H22O2.
What is the molecular weight of beta-Rotunol?
The molecular weight of beta-Rotunol is 234.16 g/mol.
Where can I buy beta-Rotunol?
You can request a quote for beta-Rotunol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Rotunol?
Yes, KEHONG BIO provides custom synthesis services for beta-Rotunol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.