1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione
TL;DR: 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione (CAS 21377-45-7) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[4.4.2.01,6]dodec-3-ene-11,12-dione
Also Known As: 1,2,3,4,5,8-hexahydro-4a,8a-ethanonaphthalene-9,10-dione, 4a,8a-Ethanonaphthalene-9,10-dione,1,2,3,4,5,8-hexahydro-, 4a,8a-Ethanonaphthalene-9,10-dione, 1,2,3,4,5,8-hexahydro-
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 21377-45-7 |
|---|---|
| SMILES | C1CCC23CC=CCC2(C1)C(=O)C3=O |
| InChIKey | PDQRKFWPAZSLDU-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione (CAS 21377-45-7), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: tricyclo[4.4.2.01,6]dodec-3-ene-11,12-dione.
Chemical Property Profile of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione
Property Insights of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione 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
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione?
The CAS number of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione is 21377-45-7.
What is the molecular formula of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione?
The molecular formula of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione is C12H14O2.
What is the molecular weight of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione?
The molecular weight of 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione is 190.10 g/mol.
Where can I buy 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione?
You can request a quote for 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,8-Hexahydro-4a,8a-ethanonaphthalene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.