(1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one
TL;DR: (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one (CAS 127911-13-1) is a chemical compound with molecular formula C9H13NO and molecular weight 151.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4S,8R)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
Also Known As: (+)-Mearsine, ( )-Mearsine, (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one, 3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one, (1R,4S,8R)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
Technical Specifications
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.09972 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.09972 Da |
| Heavy Atoms | 11 |
| Complexity | 232.0 |
| SMILES | C[C@@H]1C[C@@H]2CC(=O)[C@@H]1C(=N2)C |
| InChIKey | XWZBTIGBVQYTRB-FKBGGTMYSA-N |
Chemical Property Profile of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one
Property Insights of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one. With a topological polar surface area (TPSA) of 29.4 Ų, (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one has 0 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 (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one?
The CAS number of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one is 127911-13-1.
What is the molecular formula of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one?
The molecular formula of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one is C9H13NO.
What is the molecular weight of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one?
The molecular weight of (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one is 151.09972 g/mol.
Where can I buy (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one?
You can request a quote for (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one?
Yes, CoreyChem provides custom synthesis services for (1S,4R,7R)-2,7-Dimethyl-3-azabicyclo(2.2.2)oct-2-en-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.