3-Methyl-3-phenylbutene
TL;DR: 3-Methyl-3-phenylbutene (CAS 18321-36-3) is a chemical compound with molecular formula C11H14 and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-en-2-ylbenzene
Also Known As: 3-Methyl-3-phenyl-1-butene, 3-Methyl-3-phenylbutene, 2-methylbut-3-en-2-ylbenzene, 1-Butene, 3-methyl-3-phenyl-, (2-methylbut-3-en-2-yl)benzene
| Molecular Formula | C11H14 |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.10954 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 18321-36-3 |
|---|---|
| SMILES | CC(C)(C=C)C1=CC=CC=C1 |
| InChIKey | DKOQCZJPMFXMKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-3-phenylbutene (CAS 18321-36-3), with molecular formula C11H14 and molecular weight 146.11 g/mol. IUPAC: 2-methylbut-3-en-2-ylbenzene.
Chemical Property Profile of 3-Methyl-3-phenylbutene
Property Insights of 3-Methyl-3-phenylbutene
The XLogP value of 4.4 indicates that 3-Methyl-3-phenylbutene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methyl-3-phenylbutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-phenylbutene 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 3-Methyl-3-phenylbutene?
The CAS number of 3-Methyl-3-phenylbutene is 18321-36-3.
What is the molecular formula of 3-Methyl-3-phenylbutene?
The molecular formula of 3-Methyl-3-phenylbutene is C11H14.
What is the molecular weight of 3-Methyl-3-phenylbutene?
The molecular weight of 3-Methyl-3-phenylbutene is 146.11 g/mol.
Where can I buy 3-Methyl-3-phenylbutene?
You can request a quote for 3-Methyl-3-phenylbutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-phenylbutene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-phenylbutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.