Ocobullenone
TL;DR: Ocobullenone (CAS 149990-50-1) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,8R,9R,10R)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one
Also Known As: Ocobullenone, J1.361.875E, (1R,8R,9R,10R)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one, delta8'-5-methoxy-3,4-methylenedioxy-3',4'-methylenedioxy-1',2',3',6'-tetrahydro-6'-oxo-7,1',8,3'-neolignan, (1R,8R,9R,10R)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo(6.2.1.01,5)undec-5-en-7-one
Technical Specifications
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.14163 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.14163 Da |
| Heavy Atoms | 27 |
| Complexity | 688.0 |
| SMILES | C[C@@H]1[C@@H]([C@]2(C[C@]13C(=CC2=O)OCO3)CC=C)C4=CC5=C(C(=C4)OC)OCO5 |
| InChIKey | VMBFNOIPGQFDTB-XFHMVGKKSA-N |
Chemical Property Profile of Ocobullenone
Property Insights of Ocobullenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ocobullenone. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ocobullenone. Following Lipinski's Rule of Five, Ocobullenone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ocobullenone?
The CAS number of Ocobullenone is 149990-50-1.
What is the molecular formula of Ocobullenone?
The molecular formula of Ocobullenone is C21H22O6.
What is the molecular weight of Ocobullenone?
The molecular weight of Ocobullenone is 370.14163 g/mol.
Where can I buy Ocobullenone?
You can request a quote for Ocobullenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ocobullenone?
Yes, CoreyChem provides custom synthesis services for Ocobullenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.