Isopropyldecalin
TL;DR: Isopropyldecalin (CAS 29690-50-4) is a chemical compound with molecular formula CC(C)C1CCCC2C1CCCC2 and molecular weight 180.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: Isopropyldecalin, alpha-Isopropyldecalin, 1-propan-2-yldecalin, .alpha.-Isopropyldecalin, 4-isopropyl-decahydronaphthalene
| Molecular Formula | CC(C)C1CCCC2C1CCCC2 |
|---|---|
| Molecular Weight | 180.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.1878 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 29690-50-4 |
|---|---|
| SMILES | CC(C)C1CCCC2C1CCCC2 |
| InChIKey | VIJJVIFWVZYBLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyldecalin (CAS 29690-50-4), with molecular formula CC(C)C1CCCC2C1CCCC2 and molecular weight 180.19 g/mol. IUPAC: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
Chemical Property Profile of Isopropyldecalin
Property Insights of Isopropyldecalin
The XLogP value of 5.7 indicates that Isopropyldecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isopropyldecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyldecalin 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 Isopropyldecalin?
The CAS number of Isopropyldecalin is 29690-50-4.
What is the molecular formula of Isopropyldecalin?
The molecular formula of Isopropyldecalin is CC(C)C1CCCC2C1CCCC2.
What is the molecular weight of Isopropyldecalin?
The molecular weight of Isopropyldecalin is 180.19 g/mol.
Where can I buy Isopropyldecalin?
You can request a quote for Isopropyldecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyldecalin?
Yes, KEHONG BIO provides custom synthesis services for Isopropyldecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.