Kolanone
TL;DR: Kolanone (CAS 81827-55-6) is a chemical compound with molecular formula C33H42O4 and molecular weight 502.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Also Known As: Kolanone, 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3-h ydroxy-4,6-bis(3-methyl-2-butenyl)-, 2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
| Molecular Formula | C33H42O4 |
|---|---|
| Molecular Weight | 502.31 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.30832 |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 81827-55-6 |
|---|---|
| SMILES | CC(=CCCC(=CCC1(C(=O)C(=C(C(=C(C2=CC=CC=C2)O)C1=O)O)CC=C(C)C)CC=C(C)C)C)C |
| InChIKey | CXUWMKJZOJXGIU-UHFFFAOYSA-N |
Product Overview
Kolanone (CAS 81827-55-6), with molecular formula C33H42O4 and molecular weight 502.31 g/mol. IUPAC: 2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione.
Chemical Property Profile of Kolanone
Property Insights of Kolanone
The XLogP value of 9.2 indicates that Kolanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Kolanone. Following Lipinski's Rule of Five, Kolanone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kolanone?
The CAS number of Kolanone is 81827-55-6.
What is the molecular formula of Kolanone?
The molecular formula of Kolanone is C33H42O4.
What is the molecular weight of Kolanone?
The molecular weight of Kolanone is 502.31 g/mol.
Where can I buy Kolanone?
You can request a quote for Kolanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kolanone?
Yes, KEHONG BIO provides custom synthesis services for Kolanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.