1,3-Diisopropenylbenzene
TL;DR: 1,3-Diisopropenylbenzene (CAS 3748-13-8) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(prop-1-en-2-yl)benzene
Also Known As: 1,3-Diisopropenylbenzene, m-Diisopropenylbenzene, m-DIPEB, m-Bis(1-methylvinyl)benzene, Benzene, m-diisopropenyl-
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Vapor Pressure | 0.16 [mmHg] |
Chemical Identifiers
| CAS Number | 3748-13-8 |
|---|---|
| SMILES | CC(=C)C1=CC(=CC=C1)C(=C)C |
| InChIKey | IBVPVTPPYGGAEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diisopropenylbenzene (CAS 3748-13-8), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: 1,3-bis(prop-1-en-2-yl)benzene.
Chemical Property Profile of 1,3-Diisopropenylbenzene
Property Insights of 1,3-Diisopropenylbenzene
The XLogP value of 4.9 indicates that 1,3-Diisopropenylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Diisopropenylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diisopropenylbenzene 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 1,3-Diisopropenylbenzene?
The CAS number of 1,3-Diisopropenylbenzene is 3748-13-8.
What is the molecular formula of 1,3-Diisopropenylbenzene?
The molecular formula of 1,3-Diisopropenylbenzene is C12H14.
What is the molecular weight of 1,3-Diisopropenylbenzene?
The molecular weight of 1,3-Diisopropenylbenzene is 158.11 g/mol.
Where can I buy 1,3-Diisopropenylbenzene?
You can request a quote for 1,3-Diisopropenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diisopropenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisopropenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.