1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-
TL;DR: 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- (CAS 5409-77-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyltricyclo[6.2.1.02,7]undecan-4-one
Also Known As: 5-methyltricyclo[6.2.1.02,7]undecan-4-one, Octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one, 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-, 7-methyloctahydro-1,4-methanonaphthalen-6(2H)-one, 5-Methyl-4-oxo-tricyclo<6.2.1.02,7>undecan
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 5409-77-8 |
|---|---|
| SMILES | CC1CC2C3CCC(C3)C2CC1=O |
| InChIKey | VWFXPROOUAWFEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- (CAS 5409-77-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 5-methyltricyclo[6.2.1.02,7]undecan-4-one.
Chemical Property Profile of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-
Property Insights of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- 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 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-?
The CAS number of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- is 5409-77-8.
What is the molecular formula of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-?
The molecular formula of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- is C12H18O.
What is the molecular weight of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-?
The molecular weight of 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- is 178.14 g/mol.
Where can I buy 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-?
You can request a quote for 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.