Scandinone
TL;DR: Scandinone (CAS 5233-97-6) is a chemical compound with molecular formula C26H26O5 and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Also Known As: Scandinone, Nallanin, 6-methyl-7-oxabicyclo[4.1.0]heptan-2-ol, 1-methyl-7-oxabicyclo[4.1.0]heptan-5-ol, 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
| Molecular Formula | C26H26O5 |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.178 |
| Heavy Atoms | 31 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 5233-97-6 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C3C(=C1OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C |
| InChIKey | OUZCFMSJGDEXRT-UHFFFAOYSA-N |
Product Overview
Scandinone (CAS 5233-97-6), with molecular formula C26H26O5 and molecular weight 418.18 g/mol. IUPAC: 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one.
Chemical Property Profile of Scandinone
Property Insights of Scandinone
The XLogP value of 5.6 indicates that Scandinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Scandinone. Following Lipinski's Rule of Five, Scandinone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scandinone?
The CAS number of Scandinone is 5233-97-6.
What is the molecular formula of Scandinone?
The molecular formula of Scandinone is C26H26O5.
What is the molecular weight of Scandinone?
The molecular weight of Scandinone is 418.18 g/mol.
Where can I buy Scandinone?
You can request a quote for Scandinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scandinone?
Yes, KEHONG BIO provides custom synthesis services for Scandinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.