Decalinhydroperoxide
TL;DR: Decalinhydroperoxide (CAS 26581-25-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-hydroperoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Also Known As: Decalinhydroperoxide, Hydroperoxide, trans-, 4a-hydroperoxydecahydronaphthalene, O(O)C12CCCCC1CCCC2, Octahydronaphthalene-4a(2H)-peroxol
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 26581-25-9 |
|---|---|
| SMILES | C1CCC2(CCCCC2C1)OO |
| InChIKey | HKLZOALUTLRUOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decalinhydroperoxide (CAS 26581-25-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 8a-hydroperoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
Chemical Property Profile of Decalinhydroperoxide
Property Insights of Decalinhydroperoxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decalinhydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, Decalinhydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decalinhydroperoxide has 1 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 Decalinhydroperoxide?
The CAS number of Decalinhydroperoxide is 26581-25-9.
What is the molecular formula of Decalinhydroperoxide?
The molecular formula of Decalinhydroperoxide is C10H18O2.
What is the molecular weight of Decalinhydroperoxide?
The molecular weight of Decalinhydroperoxide is 170.13 g/mol.
Where can I buy Decalinhydroperoxide?
You can request a quote for Decalinhydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decalinhydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for Decalinhydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.