Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione
TL;DR: Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione (CAS 2816-25-3) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
Also Known As: ghl.PD_Mitscher_leg0.295, endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione, J2.058.364I, Tricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione, 1,4,4a,8a-Tetrahydro-1,4-ethanonaphthalene-5,8-dione
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 2816-25-3 |
|---|---|
| SMILES | C1CC2C=CC1C3C2C(=O)C=CC3=O |
| InChIKey | RVYRSLQPTCIBMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione (CAS 2816-25-3), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: tricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.
Chemical Property Profile of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione
Property Insights of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-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 Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione?
The CAS number of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione is 2816-25-3.
What is the molecular formula of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione?
The molecular formula of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione is C12H12O2.
What is the molecular weight of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione?
The molecular weight of Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione is 188.08 g/mol.
Where can I buy Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione?
You can request a quote for Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione?
Yes, KEHONG BIO provides custom synthesis services for Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.