Bis(1-methylethyl)benzene
TL;DR: Bis(1-methylethyl)benzene (CAS 25321-09-9) 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.
1,2-di(propan-2-yl)benzene
Also Known As: 1,2-DIISOPROPYLBENZENE, DIISOPROPYLBENZENE, o-Diisopropylbenzene, Diisopropylbenzene (Mixture of isoMers), Benzene, o-diisopropyl-
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
| Melting Point | -57 °C |
| Boiling Point | 205 °C |
| Density | 0.9 (water=1) |
| Solubility | Sol in all proportions of alcohol, ether, acetone and benzene. |
| Flash Point | 77 °C |
| Vapor Pressure | 0.25 to 0.39 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 25321-09-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1C(C)C |
| InChIKey | OKIRBHVFJGXOIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(1-methylethyl)benzene (CAS 25321-09-9), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2-di(propan-2-yl)benzene.
Chemical Property Profile of Bis(1-methylethyl)benzene
Property Insights of Bis(1-methylethyl)benzene
The XLogP value of 4.2 indicates that Bis(1-methylethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Bis(1-methylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-methylethyl)benzene 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 Bis(1-methylethyl)benzene?
The CAS number of Bis(1-methylethyl)benzene is 25321-09-9.
What is the molecular formula of Bis(1-methylethyl)benzene?
The molecular formula of Bis(1-methylethyl)benzene is C12H18.
What is the molecular weight of Bis(1-methylethyl)benzene?
The molecular weight of Bis(1-methylethyl)benzene is 162.14 g/mol.
Where can I buy Bis(1-methylethyl)benzene?
You can request a quote for Bis(1-methylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-methylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-methylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.