di-p-Tolylacetylene
TL;DR: di-p-Tolylacetylene (CAS 2789-88-0) is a chemical compound with molecular formula C16H14 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
Also Known As: di-p-Tolylacetylene, 1,2-di-p-tolylethyne, Bis(p-tolyl)acetylene, 4.4'-Dimethyltolan, Bis(4-tolyl)acetylene
| Molecular Formula | C16H14 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.10954 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 2789-88-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C |
| InChIKey | OFDOCXDLDQXWIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
di-p-Tolylacetylene (CAS 2789-88-0), with molecular formula C16H14 and molecular weight 206.11 g/mol. IUPAC: 1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene.
Chemical Property Profile of di-p-Tolylacetylene
Property Insights of di-p-Tolylacetylene
The XLogP value of 4.7 indicates that di-p-Tolylacetylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, di-p-Tolylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, di-p-Tolylacetylene 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 di-p-Tolylacetylene?
The CAS number of di-p-Tolylacetylene is 2789-88-0.
What is the molecular formula of di-p-Tolylacetylene?
The molecular formula of di-p-Tolylacetylene is C16H14.
What is the molecular weight of di-p-Tolylacetylene?
The molecular weight of di-p-Tolylacetylene is 206.11 g/mol.
Where can I buy di-p-Tolylacetylene?
You can request a quote for di-p-Tolylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for di-p-Tolylacetylene?
Yes, KEHONG BIO provides custom synthesis services for di-p-Tolylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.