2-Methyldecalin
TL;DR: 2-Methyldecalin (CAS 2958-76-1) is a chemical compound with molecular formula C11H20 and molecular weight 152.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: 2-Methyldecalin, Decahydro-2-methylnaphthalene, 2-Methyldecahydronaphthalene, NAPHTHALENE,DECAHYDRO-2-METHYL-, Naphthalene, decahydro-2-methyl-
| Molecular Formula | C11H20 |
|---|---|
| Molecular Weight | 152.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.1565 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 2958-76-1 |
|---|---|
| SMILES | CC1CCC2CCCCC2C1 |
| InChIKey | GREARFRXIFVLGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyldecalin (CAS 2958-76-1), with molecular formula C11H20 and molecular weight 152.16 g/mol. IUPAC: 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
Chemical Property Profile of 2-Methyldecalin
Property Insights of 2-Methyldecalin
The XLogP value of 4.9 indicates that 2-Methyldecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyldecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyldecalin has 0 hydrogen bond donor(s) and 0 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 2-Methyldecalin?
The CAS number of 2-Methyldecalin is 2958-76-1.
What is the molecular formula of 2-Methyldecalin?
The molecular formula of 2-Methyldecalin is C11H20.
What is the molecular weight of 2-Methyldecalin?
The molecular weight of 2-Methyldecalin is 152.16 g/mol.
Where can I buy 2-Methyldecalin?
You can request a quote for 2-Methyldecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyldecalin?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyldecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.