2,6-Diethyltoluene
TL;DR: 2,6-Diethyltoluene (CAS 13632-95-6) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-2-methylbenzene
Also Known As: 2,6-Diethyltoluene, 1,3-diethyl-2-methylbenzene, Benzene, 1,3-diethyl-2-methyl-, Benzene, diethylmethyl-, Toluene, 2,6-diethyl-
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 13632-95-6 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)C |
| InChIKey | XZZNTLNFQVAKFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diethyltoluene (CAS 13632-95-6), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1,3-diethyl-2-methylbenzene.
Chemical Property Profile of 2,6-Diethyltoluene
Property Insights of 2,6-Diethyltoluene
The XLogP value of 3.9 indicates that 2,6-Diethyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,6-Diethyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diethyltoluene 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 2,6-Diethyltoluene?
The CAS number of 2,6-Diethyltoluene is 13632-95-6.
What is the molecular formula of 2,6-Diethyltoluene?
The molecular formula of 2,6-Diethyltoluene is C11H16.
What is the molecular weight of 2,6-Diethyltoluene?
The molecular weight of 2,6-Diethyltoluene is 148.13 g/mol.
Where can I buy 2,6-Diethyltoluene?
You can request a quote for 2,6-Diethyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.