2,6-Dimethylstyrene
TL;DR: 2,6-Dimethylstyrene (CAS 2039-90-9) is a chemical compound with molecular formula C10H12 and molecular weight 132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-1,3-dimethylbenzene
Also Known As: 2,6-DIMETHYLSTYRENE, 1,3-Dimethyl-2-vinylbenzene, 2-ethenyl-1,3-dimethylbenzene, phenobarbital, Benzene, 2-ethenyl-1,3-dimethyl-
| Molecular Formula | C10H12 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.0939 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 2039-90-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C=C |
| InChIKey | OWRKXOZFTROHSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylstyrene (CAS 2039-90-9), with molecular formula C10H12 and molecular weight 132.09 g/mol. IUPAC: 2-ethenyl-1,3-dimethylbenzene.
Chemical Property Profile of 2,6-Dimethylstyrene
Property Insights of 2,6-Dimethylstyrene
The XLogP value of 3.4 indicates that 2,6-Dimethylstyrene 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-Dimethylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylstyrene 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-Dimethylstyrene?
The CAS number of 2,6-Dimethylstyrene is 2039-90-9.
What is the molecular formula of 2,6-Dimethylstyrene?
The molecular formula of 2,6-Dimethylstyrene is C10H12.
What is the molecular weight of 2,6-Dimethylstyrene?
The molecular weight of 2,6-Dimethylstyrene is 132.09 g/mol.
Where can I buy 2,6-Dimethylstyrene?
You can request a quote for 2,6-Dimethylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylstyrene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.