Benzene, 1,3-dimethyl-5-(1-methylpropyl)
TL;DR: Benzene, 1,3-dimethyl-5-(1-methylpropyl) (CAS 939-37-7) 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-butan-2-yl-3,5-dimethylbenzene
Also Known As: 5-sec-Butyl-m-xylene, 1-(sec-Butyl)-3,5-dimethylbenzene, 1,3-Dimethyl-5-secButylbenzene, 1-butan-2-yl-3,5-dimethylbenzene, Benzene, 1,3-dimethyl-5-(1-methylpropyl)
| 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 | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 939-37-7 |
|---|---|
| SMILES | CCC(C)C1=CC(=CC(=C1)C)C |
| InChIKey | JRIIFSPDAWMGAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-dimethyl-5-(1-methylpropyl) (CAS 939-37-7), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1-butan-2-yl-3,5-dimethylbenzene.
Chemical Property Profile of Benzene, 1,3-dimethyl-5-(1-methylpropyl)
Property Insights of Benzene, 1,3-dimethyl-5-(1-methylpropyl)
The XLogP value of 4.3 indicates that Benzene, 1,3-dimethyl-5-(1-methylpropyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,3-dimethyl-5-(1-methylpropyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-dimethyl-5-(1-methylpropyl) 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 Benzene, 1,3-dimethyl-5-(1-methylpropyl)?
The CAS number of Benzene, 1,3-dimethyl-5-(1-methylpropyl) is 939-37-7.
What is the molecular formula of Benzene, 1,3-dimethyl-5-(1-methylpropyl)?
The molecular formula of Benzene, 1,3-dimethyl-5-(1-methylpropyl) is C12H18.
What is the molecular weight of Benzene, 1,3-dimethyl-5-(1-methylpropyl)?
The molecular weight of Benzene, 1,3-dimethyl-5-(1-methylpropyl) is 162.14 g/mol.
Where can I buy Benzene, 1,3-dimethyl-5-(1-methylpropyl)?
You can request a quote for Benzene, 1,3-dimethyl-5-(1-methylpropyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-dimethyl-5-(1-methylpropyl)?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-dimethyl-5-(1-methylpropyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.