4-Isopropenyl-o-xylene
TL;DR: 4-Isopropenyl-o-xylene (CAS 18908-16-2) 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.
1,2-dimethyl-4-prop-1-en-2-ylbenzene
Also Known As: 4-Isopropenyl-o-xylene, 1,2-dimethyl-4-(prop-1-en-2-yl)benzene, 3,4,alpha-Trimethylstyrene, 1,2-dimethyl-4-isopropenylbenzene, 1,2-dimethyl-4-prop-1-en-2-ylbenzene
| Molecular Formula | C11H14 |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.10954 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 18908-16-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=C)C)C |
| InChIKey | XSQYYLSXKMCPJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropenyl-o-xylene (CAS 18908-16-2), with molecular formula C11H14 and molecular weight 146.11 g/mol. IUPAC: 1,2-dimethyl-4-prop-1-en-2-ylbenzene.
Chemical Property Profile of 4-Isopropenyl-o-xylene
Property Insights of 4-Isopropenyl-o-xylene
The XLogP value of 4.1 indicates that 4-Isopropenyl-o-xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Isopropenyl-o-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropenyl-o-xylene 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 4-Isopropenyl-o-xylene?
The CAS number of 4-Isopropenyl-o-xylene is 18908-16-2.
What is the molecular formula of 4-Isopropenyl-o-xylene?
The molecular formula of 4-Isopropenyl-o-xylene is C11H14.
What is the molecular weight of 4-Isopropenyl-o-xylene?
The molecular weight of 4-Isopropenyl-o-xylene is 146.11 g/mol.
Where can I buy 4-Isopropenyl-o-xylene?
You can request a quote for 4-Isopropenyl-o-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropenyl-o-xylene?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropenyl-o-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.