1,3-Diethyl-2,4,5,6-tetramethylbenzene
TL;DR: 1,3-Diethyl-2,4,5,6-tetramethylbenzene (CAS 33781-72-5) is a chemical compound with molecular formula C14H22 and molecular weight 190.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-2,4,5,6-tetramethylbenzene
Also Known As: 1,3-Diethyl-2,4,5,6-tetramethylbenzene, Benzene, 1,3-diethyl-2,4,5,6-tetramethyl-, Benzene,3-diethyl-2,4,5,6-tetramethyl-, 1,2,3,5-Tetramethyl-4,6-diaethyl-benzol, 1,3-Diethyl-2,4,5,6-tetramethylbenzene #
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 33781-72-5 |
|---|---|
| SMILES | CCC1=C(C(=C(C(=C1C)C)C)CC)C |
| InChIKey | AHRQHZJWGBZBMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl-2,4,5,6-tetramethylbenzene (CAS 33781-72-5), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: 1,3-diethyl-2,4,5,6-tetramethylbenzene.
Chemical Property Profile of 1,3-Diethyl-2,4,5,6-tetramethylbenzene
Property Insights of 1,3-Diethyl-2,4,5,6-tetramethylbenzene
The XLogP value of 5.0 indicates that 1,3-Diethyl-2,4,5,6-tetramethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Diethyl-2,4,5,6-tetramethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl-2,4,5,6-tetramethylbenzene 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 1,3-Diethyl-2,4,5,6-tetramethylbenzene?
The CAS number of 1,3-Diethyl-2,4,5,6-tetramethylbenzene is 33781-72-5.
What is the molecular formula of 1,3-Diethyl-2,4,5,6-tetramethylbenzene?
The molecular formula of 1,3-Diethyl-2,4,5,6-tetramethylbenzene is C14H22.
What is the molecular weight of 1,3-Diethyl-2,4,5,6-tetramethylbenzene?
The molecular weight of 1,3-Diethyl-2,4,5,6-tetramethylbenzene is 190.17 g/mol.
Where can I buy 1,3-Diethyl-2,4,5,6-tetramethylbenzene?
You can request a quote for 1,3-Diethyl-2,4,5,6-tetramethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-2,4,5,6-tetramethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-2,4,5,6-tetramethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.