Neopetasol
TL;DR: Neopetasol (CAS 70424-08-7) 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.
(3R,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: Neopetasol, Petasol, ACon1_000544, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3R,4aR,5R,6R)-, BRD-K53154299-001-01-4
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.8 |
| 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 | 394.0 |
Chemical Identifiers
| CAS Number | 70424-08-7 |
|---|---|
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C)O |
| InChIKey | AJFPOVBARCSOLH-XTWPYSKKSA-N |
Product Overview
Neopetasol (CAS 70424-08-7), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3R,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of Neopetasol
Property Insights of Neopetasol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopetasol. With a topological polar surface area (TPSA) of 37.3 Ų, Neopetasol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopetasol 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 Neopetasol?
The CAS number of Neopetasol is 70424-08-7.
What is the molecular formula of Neopetasol?
The molecular formula of Neopetasol is C15H22O2.
What is the molecular weight of Neopetasol?
The molecular weight of Neopetasol is 234.16 g/mol.
Where can I buy Neopetasol?
You can request a quote for Neopetasol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopetasol?
Yes, KEHONG BIO provides custom synthesis services for Neopetasol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.