Cannabicoumaronone
TL;DR: Cannabicoumaronone (CAS 70474-97-4) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one
Also Known As: Cannabicoumaronone, 4- -2-butanone, 4-(3,4-Dihydro-4,4-dimethyl-7-pentylfuro[4,3,2-de][1]benzopyran-3-yl)-2-butanone, 4-(4,4-Dimethyl-7-pentyl-3,4-dihydrofuro[4,3,2-de]chromen-3-yl)-2-butanone #, 4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo(6.3.1.04,12)dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 70474-97-4 |
|---|---|
| SMILES | CCCCCC1=CC2=C3C(=C1)OC(C(C3=CO2)CCC(=O)C)(C)C |
| InChIKey | CSSYBWPIBDITMG-UHFFFAOYSA-N |
Product Overview
Cannabicoumaronone (CAS 70474-97-4), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one.
Chemical Property Profile of Cannabicoumaronone
Property Insights of Cannabicoumaronone
The XLogP value of 5.2 indicates that Cannabicoumaronone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Cannabicoumaronone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cannabicoumaronone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cannabicoumaronone?
The CAS number of Cannabicoumaronone is 70474-97-4.
What is the molecular formula of Cannabicoumaronone?
The molecular formula of Cannabicoumaronone is C21H28O3.
What is the molecular weight of Cannabicoumaronone?
The molecular weight of Cannabicoumaronone is 328.20 g/mol.
Where can I buy Cannabicoumaronone?
You can request a quote for Cannabicoumaronone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cannabicoumaronone?
Yes, KEHONG BIO provides custom synthesis services for Cannabicoumaronone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.