p-Propenyltoluene
TL;DR: p-Propenyltoluene (CAS 2698-14-8) is a chemical compound with molecular formula C10H12 and molecular weight 132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-prop-1-enylbenzene
Also Known As: p-propenyltoluene, 1-methyl-4-prop-1-enylbenzene, 1-methyl-4-propenyl-benzene, 4-Methyl-trans-beta-methylstyrene, 1-Methyl-4-(1-propen-1-yl)benzene
| Molecular Formula | C10H12 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.0939 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 2698-14-8 |
|---|---|
| SMILES | CC=CC1=CC=C(C=C1)C |
| InChIKey | LSMSSYSRCUNIFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Propenyltoluene (CAS 2698-14-8), with molecular formula C10H12 and molecular weight 132.09 g/mol. IUPAC: 1-methyl-4-prop-1-enylbenzene.
Chemical Property Profile of p-Propenyltoluene
Property Insights of p-Propenyltoluene
The XLogP value of 3.3 indicates that p-Propenyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, p-Propenyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Propenyltoluene 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 p-Propenyltoluene?
The CAS number of p-Propenyltoluene is 2698-14-8.
What is the molecular formula of p-Propenyltoluene?
The molecular formula of p-Propenyltoluene is C10H12.
What is the molecular weight of p-Propenyltoluene?
The molecular weight of p-Propenyltoluene is 132.09 g/mol.
Where can I buy p-Propenyltoluene?
You can request a quote for p-Propenyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Propenyltoluene?
Yes, KEHONG BIO provides custom synthesis services for p-Propenyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.