Hexahydro-1,8(2H,5H)-naphthalenedione
TL;DR: Hexahydro-1,8(2H,5H)-naphthalenedione (CAS 83406-40-0) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4a,5,6,7,8a-octahydronaphthalene-1,8-dione
Also Known As: decahydronaphthalene-1,8-dione, Decalin-1,8-dione, Hexahydro-1,8(2H,5H)-naphthalenedione, hexahydronaphthalene-1,8(2H,5H)-dione, 1,8(2H,5H)-Naphthalenedione, hexahydro-
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 83406-40-0 |
|---|---|
| SMILES | C1CC2CCCC(=O)C2C(=O)C1 |
| InChIKey | MCGBZBIVNKGHNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1,8(2H,5H)-naphthalenedione (CAS 83406-40-0), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 2,3,4,4a,5,6,7,8a-octahydronaphthalene-1,8-dione.
Chemical Property Profile of Hexahydro-1,8(2H,5H)-naphthalenedione
Property Insights of Hexahydro-1,8(2H,5H)-naphthalenedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1,8(2H,5H)-naphthalenedione. With a topological polar surface area (TPSA) of 34.1 Ų, Hexahydro-1,8(2H,5H)-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1,8(2H,5H)-naphthalenedione 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 Hexahydro-1,8(2H,5H)-naphthalenedione?
The CAS number of Hexahydro-1,8(2H,5H)-naphthalenedione is 83406-40-0.
What is the molecular formula of Hexahydro-1,8(2H,5H)-naphthalenedione?
The molecular formula of Hexahydro-1,8(2H,5H)-naphthalenedione is C10H14O2.
What is the molecular weight of Hexahydro-1,8(2H,5H)-naphthalenedione?
The molecular weight of Hexahydro-1,8(2H,5H)-naphthalenedione is 166.10 g/mol.
Where can I buy Hexahydro-1,8(2H,5H)-naphthalenedione?
You can request a quote for Hexahydro-1,8(2H,5H)-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1,8(2H,5H)-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1,8(2H,5H)-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.