1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-
TL;DR: 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- (CAS 92841-69-5) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 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]dodec-9-en-4-one
Also Known As: 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-, 2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-sulfonyl-di-phenol, 3,4,4a,5,8,8a-Hexahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one, 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.)-, 1,4:5,8-Dimethanonaphthalen-2(1H)-one,3,4,4a,5,8,8a-hexahydro-, (1R,4R,4aS,5R,8S,8aR)-rel- (9CI)
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 92841-69-5 |
|---|---|
| SMILES | C1C2CC(=O)C1C3C2C4CC3C=C4 |
| InChIKey | AWDQKLULSIAWOR-UHFFFAOYSA-N |
Product Overview
1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- (CAS 92841-69-5), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-one.
Chemical Property Profile of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-
Property Insights of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- 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-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-?
The CAS number of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- is 92841-69-5.
What is the molecular formula of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-?
The molecular formula of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- is C12H14O.
What is the molecular weight of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-?
The molecular weight of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- is 174.10 g/mol.
Where can I buy 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-?
You can request a quote for 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- 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-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.