1-Methyl-3-(1-methylpropyl)benzene
TL;DR: 1-Methyl-3-(1-methylpropyl)benzene (CAS 1772-10-7) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-3-methylbenzene
Also Known As: m-sec-Butyltoluene, 1-sec-butylbenzene, toluene, m-sec-butyl-, 3-sec-Butyltoluene, 2-(m-tolyl)butane
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 1772-10-7 |
|---|---|
| SMILES | CCC(C)C1=CC=CC(=C1)C |
| InChIKey | RMNILBOMCXQZFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-(1-methylpropyl)benzene (CAS 1772-10-7), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-butan-2-yl-3-methylbenzene.
Chemical Property Profile of 1-Methyl-3-(1-methylpropyl)benzene
Property Insights of 1-Methyl-3-(1-methylpropyl)benzene
The XLogP value of 4.0 indicates that 1-Methyl-3-(1-methylpropyl)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, 1-Methyl-3-(1-methylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(1-methylpropyl)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 1-Methyl-3-(1-methylpropyl)benzene?
The CAS number of 1-Methyl-3-(1-methylpropyl)benzene is 1772-10-7.
What is the molecular formula of 1-Methyl-3-(1-methylpropyl)benzene?
The molecular formula of 1-Methyl-3-(1-methylpropyl)benzene is C11H16.
What is the molecular weight of 1-Methyl-3-(1-methylpropyl)benzene?
The molecular weight of 1-Methyl-3-(1-methylpropyl)benzene is 148.13 g/mol.
Where can I buy 1-Methyl-3-(1-methylpropyl)benzene?
You can request a quote for 1-Methyl-3-(1-methylpropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(1-methylpropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(1-methylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.