2-tert-Butyl-1,3-dimethylbenzene
TL;DR: 2-tert-Butyl-1,3-dimethylbenzene (CAS 1985-64-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,3-dimethylbenzene
Also Known As: 2-tert-butyl-1,3-dimethylbenzene, trimethyl-(hemimellitene), 2,6-dimethyl-t-butylbenzene, 1,3-Dimethyl-2-tert-butylbenzene, 1,3-dimethyl-2-tert-butyl-benzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 1985-64-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C(C)(C)C |
| InChIKey | KSHRLMQTTISAEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-1,3-dimethylbenzene (CAS 1985-64-4), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 2-tert-butyl-1,3-dimethylbenzene.
Chemical Property Profile of 2-tert-Butyl-1,3-dimethylbenzene
Property Insights of 2-tert-Butyl-1,3-dimethylbenzene
The XLogP value of 4.3 indicates that 2-tert-Butyl-1,3-dimethylbenzene 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-tert-Butyl-1,3-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-1,3-dimethylbenzene 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-tert-Butyl-1,3-dimethylbenzene?
The CAS number of 2-tert-Butyl-1,3-dimethylbenzene is 1985-64-4.
What is the molecular formula of 2-tert-Butyl-1,3-dimethylbenzene?
The molecular formula of 2-tert-Butyl-1,3-dimethylbenzene is C12H18.
What is the molecular weight of 2-tert-Butyl-1,3-dimethylbenzene?
The molecular weight of 2-tert-Butyl-1,3-dimethylbenzene is 162.14 g/mol.
Where can I buy 2-tert-Butyl-1,3-dimethylbenzene?
You can request a quote for 2-tert-Butyl-1,3-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-1,3-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-1,3-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.