7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one
TL;DR: 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one (CAS 142717-57-5) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,6R,7R)-7-[(3S)-3-hydroxybutyl]-1-methyl-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
Also Known As: Dihydrocurcumenone, 4S-Dihydrocurcumenone, (4S)- Dihydrocurcumenone, HY-N10881, Bicyclo(4.1.0)heptan-3-one, 7-((3S)-3-hydroxybutyl)-1-methyl-4-(1-methylethylidene)-, (1S,6R,7R)-
Technical Specifications
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.17763 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.17763 Da |
| Heavy Atoms | 17 |
| Complexity | 365.0 |
| SMILES | C[C@@H](CC[C@@H]1[C@@H]2[C@]1(CC(=O)C(=C(C)C)C2)C)O |
| InChIKey | OQZCUYXRSFWCJU-ZGFBFQLVSA-N |
Chemical Property Profile of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one
Property Insights of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one 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
What is the CAS number of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one?
The CAS number of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one is 142717-57-5.
What is the molecular formula of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one?
The molecular formula of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one is C15H24O2.
What is the molecular weight of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one?
The molecular weight of 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one is 236.17763 g/mol.
Where can I buy 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one?
You can request a quote for 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one?
Yes, CoreyChem provides custom synthesis services for 7-(3-Hydroxybutyl)-1-methyl-4-(propan-2-ylidene)bicyclo(4.1.0)heptan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.