1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-
TL;DR: 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- (CAS 36197-31-6) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetracyclo[6.2.1.13,6.02,7]dodecan-11-one
Also Known As: Decahydro-1,4:5,8-dimethanonaphthalen-9-one, 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-, 1,4:5,8-Dimethanonaphthalen-9-one, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.)-
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 36197-31-6 |
|---|---|
| SMILES | C1CC2CC1C3C2C4CCC3C4=O |
| InChIKey | BXCXSNWNIVXFED-UHFFFAOYSA-N |
Product Overview
1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- (CAS 36197-31-6), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: tetracyclo[6.2.1.13,6.02,7]dodecan-11-one.
Chemical Property Profile of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-
Property Insights of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- 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 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-?
The CAS number of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- is 36197-31-6.
What is the molecular formula of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-?
The molecular formula of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- is C12H16O.
What is the molecular weight of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-?
The molecular weight of 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- is 176.12 g/mol.
Where can I buy 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-?
You can request a quote for 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4:5,8-Dimethanonaphthalen-9-one, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.