Decalin-1,4-dione
TL;DR: Decalin-1,4-dione (CAS 4939-91-7) 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.
2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
Also Known As: Decalin-1,4-dione, cis-Decalin-1,4-dione, octahydronaphthalene-1,4-dione, 1,4-Naphthalenedione,octahydro, 1,4-Naphthalenedione,octahydro-
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.0 |
| 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 | 196.0 |
Chemical Identifiers
| CAS Number | 4939-91-7 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)CCC2=O |
| InChIKey | ZLPBWAJPTCJOGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decalin-1,4-dione (CAS 4939-91-7), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione.
Chemical Property Profile of Decalin-1,4-dione
Property Insights of Decalin-1,4-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decalin-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Decalin-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decalin-1,4-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 Decalin-1,4-dione?
The CAS number of Decalin-1,4-dione is 4939-91-7.
What is the molecular formula of Decalin-1,4-dione?
The molecular formula of Decalin-1,4-dione is C10H14O2.
What is the molecular weight of Decalin-1,4-dione?
The molecular weight of Decalin-1,4-dione is 166.10 g/mol.
Where can I buy Decalin-1,4-dione?
You can request a quote for Decalin-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decalin-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for Decalin-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.