1-Methoxydecalin
TL;DR: 1-Methoxydecalin (CAS 21720-89-8) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: 1-Methoxydecalin, 1-Methoxydecahydronaphthalene, 1-methoxy-decahydronaphthalene, Decahydro-1-methoxynaphthalene, 1-Methoxydecahydronaphthalene #
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 21720-89-8 |
|---|---|
| SMILES | COC1CCCC2C1CCCC2 |
| InChIKey | LZESBWDFXQPYMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxydecalin (CAS 21720-89-8), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 1-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
Chemical Property Profile of 1-Methoxydecalin
Property Insights of 1-Methoxydecalin
The XLogP value of 3.4 indicates that 1-Methoxydecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxydecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxydecalin has 0 hydrogen bond donor(s) and 1 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-Methoxydecalin?
The CAS number of 1-Methoxydecalin is 21720-89-8.
What is the molecular formula of 1-Methoxydecalin?
The molecular formula of 1-Methoxydecalin is C11H20O.
What is the molecular weight of 1-Methoxydecalin?
The molecular weight of 1-Methoxydecalin is 168.15 g/mol.
Where can I buy 1-Methoxydecalin?
You can request a quote for 1-Methoxydecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxydecalin?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxydecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.