(2-Methylbutyl)benzene
TL;DR: (2-Methylbutyl)benzene (CAS 3968-85-2) 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.
2-methylbutylbenzene
Also Known As: (2-Methylbutyl)benzene, 2-methylbutylbenzene, 1-Phenyl-2-methylbutane, 2-Benzylbutane, Benzene, (2-methylbutyl)-
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 3968-85-2 |
|---|---|
| SMILES | CCC(C)CC1=CC=CC=C1 |
| InChIKey | IFDLFCDWOFLKEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methylbutyl)benzene (CAS 3968-85-2), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 2-methylbutylbenzene.
Chemical Property Profile of (2-Methylbutyl)benzene
Property Insights of (2-Methylbutyl)benzene
The XLogP value of 4.1 indicates that (2-Methylbutyl)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, (2-Methylbutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylbutyl)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 (2-Methylbutyl)benzene?
The CAS number of (2-Methylbutyl)benzene is 3968-85-2.
What is the molecular formula of (2-Methylbutyl)benzene?
The molecular formula of (2-Methylbutyl)benzene is C11H16.
What is the molecular weight of (2-Methylbutyl)benzene?
The molecular weight of (2-Methylbutyl)benzene is 148.13 g/mol.
Where can I buy (2-Methylbutyl)benzene?
You can request a quote for (2-Methylbutyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylbutyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylbutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.