1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
TL;DR: 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one (CAS 104873-45-2) is a chemical compound with molecular formula C12H18O and molecular weight 178.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: 1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one, KST-1B9049, 1,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one, 1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one, 4,4a,5,6,7,8-Hexahydro-1,4a-dimethylnaphthalen-2(3H)-one
Technical Specifications
| Molecular Formula | C12H18O |
| Molecular Weight | 178.13577 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.13577 Da |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
| SMILES | CC1=C2CCCCC2(CCC1=O)C |
| InChIKey | WNVZKCBLUKHUBI-UHFFFAOYSA-N |
Chemical Property Profile of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Property Insights of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The CAS number of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one is 104873-45-2.
What is the molecular formula of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The molecular formula of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one is C12H18O.
What is the molecular weight of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The molecular weight of 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one is 178.13577 g/mol.
Where can I buy 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one?
You can request a quote for 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one?
Yes, CoreyChem provides custom synthesis services for 1,4a-Dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.