beta-Ethyldecalin
TL;DR: beta-Ethyldecalin (CAS 1618-23-1) is a chemical compound with molecular formula C12H22 and molecular weight 166.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: beta-Ethyldecalin, 2-Ethyldecalin, .beta.-Ethyldecalin, 2-Ethyldecahydronaphthalene, Naphthalene, 2-ethyldecahydro-
| Molecular Formula | C12H22 |
|---|---|
| Molecular Weight | 166.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.17215 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 1618-23-1 |
|---|---|
| SMILES | CCC1CCC2CCCCC2C1 |
| InChIKey | HLQZZLGOHWUHQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Ethyldecalin (CAS 1618-23-1), with molecular formula C12H22 and molecular weight 166.17 g/mol. IUPAC: 2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
Chemical Property Profile of beta-Ethyldecalin
Property Insights of beta-Ethyldecalin
The XLogP value of 5.4 indicates that beta-Ethyldecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, beta-Ethyldecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ethyldecalin has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Ethyldecalin?
The CAS number of beta-Ethyldecalin is 1618-23-1.
What is the molecular formula of beta-Ethyldecalin?
The molecular formula of beta-Ethyldecalin is C12H22.
What is the molecular weight of beta-Ethyldecalin?
The molecular weight of beta-Ethyldecalin is 166.17 g/mol.
Where can I buy beta-Ethyldecalin?
You can request a quote for beta-Ethyldecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ethyldecalin?
Yes, KEHONG BIO provides custom synthesis services for beta-Ethyldecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.