3-Methyl-4-phenyl-1-butene
TL;DR: 3-Methyl-4-phenyl-1-butene (CAS 6683-51-8) is a chemical compound with molecular formula CC(CC1=CC=CC=C1)C=C 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-enylbenzene
Also Known As: 2-methylbut-3-enylbenzene, Benzene, (2-methyl-3-butenyl)-, 3-benzylbut-1-ene, 3-Methyl-4-phenyl-1-butene, (2-Methyl-3-butenyl)benzene
| Molecular Formula | CC(CC1=CC=CC=C1)C=C |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.10954 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 6683-51-8 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C=C |
| InChIKey | SNPJDWADMNXVRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-phenyl-1-butene (CAS 6683-51-8), with molecular formula CC(CC1=CC=CC=C1)C=C and molecular weight 146.11 g/mol. IUPAC: 2-methylbut-3-enylbenzene.
Chemical Property Profile of 3-Methyl-4-phenyl-1-butene
Property Insights of 3-Methyl-4-phenyl-1-butene
The XLogP value of 3.6 indicates that 3-Methyl-4-phenyl-1-butene 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-4-phenyl-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-1-butene 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-4-phenyl-1-butene?
The CAS number of 3-Methyl-4-phenyl-1-butene is 6683-51-8.
What is the molecular formula of 3-Methyl-4-phenyl-1-butene?
The molecular formula of 3-Methyl-4-phenyl-1-butene is CC(CC1=CC=CC=C1)C=C.
What is the molecular weight of 3-Methyl-4-phenyl-1-butene?
The molecular weight of 3-Methyl-4-phenyl-1-butene is 146.11 g/mol.
Where can I buy 3-Methyl-4-phenyl-1-butene?
You can request a quote for 3-Methyl-4-phenyl-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.