1-(1-Methylethenyl)-3-(1-methylethyl)benzene
TL;DR: 1-(1-Methylethenyl)-3-(1-methylethyl)benzene (CAS 1129-29-9) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-3-prop-1-en-2-ylbenzene
Also Known As: 1-Isopropenyl-3-isopropylbenzene, m-isopropenylcumene, 1-propan-2-yl-3-prop-1-en-2-ylbenzene, 5-chloropyridine-3-carboxamide, m-Isopropyl-alpha-methylstyrene
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 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 | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 1129-29-9 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)C(=C)C |
| InChIKey | BDXXZCIRCYKRBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Methylethenyl)-3-(1-methylethyl)benzene (CAS 1129-29-9), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: 1-propan-2-yl-3-prop-1-en-2-ylbenzene.
Chemical Property Profile of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene
Property Insights of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene
The XLogP value of 4.4 indicates that 1-(1-Methylethenyl)-3-(1-methylethyl)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, 1-(1-Methylethenyl)-3-(1-methylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylethenyl)-3-(1-methylethyl)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 1-(1-Methylethenyl)-3-(1-methylethyl)benzene?
The CAS number of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene is 1129-29-9.
What is the molecular formula of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene?
The molecular formula of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene is C12H16.
What is the molecular weight of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene?
The molecular weight of 1-(1-Methylethenyl)-3-(1-methylethyl)benzene is 160.13 g/mol.
Where can I buy 1-(1-Methylethenyl)-3-(1-methylethyl)benzene?
You can request a quote for 1-(1-Methylethenyl)-3-(1-methylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methylethenyl)-3-(1-methylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylethenyl)-3-(1-methylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.