1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone
TL;DR: 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone (CAS 79341-74-5) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(10,10-dimethyl-6-tricyclo[7.1.1.02,7]undec-2-enyl)ethanone
Also Known As: KST-1B8629, 1-(2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone, 1-(2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphth, 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethan-1-one
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 79341-74-5 |
|---|---|
| SMILES | CC(=O)C1CCC=C2C1CC3CC2C3(C)C |
| InChIKey | SVZJNZGVWBDIIH-UHFFFAOYSA-N |
Product Overview
1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone (CAS 79341-74-5), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 1-(10,10-dimethyl-6-tricyclo[7.1.1.02,7]undec-2-enyl)ethanone.
Chemical Property Profile of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone
Property Insights of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone?
The CAS number of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone is 79341-74-5.
What is the molecular formula of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone?
The molecular formula of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone is C15H22O.
What is the molecular weight of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone?
The molecular weight of 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone is 218.17 g/mol.
Where can I buy 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone?
You can request a quote for 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalen-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.