![3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile structure](/static/products/6052/60521-70-2.webp)
3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile
TL;DR: 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile (CAS 60521-70-2) is a chemical compound with molecular formula C12H4N2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile
Also Known As: 3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile, 3,3'-(1,3-Phenylene)di(prop-2-ynenitrile)
| Molecular Formula | C12H4N2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.03745 |
| Heavy Atoms | 14 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 60521-70-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C#CC#N)C#CC#N |
| InChIKey | XGEKKJQHWPQORE-UHFFFAOYSA-N |
Product Overview
3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile (CAS 60521-70-2), with molecular formula C12H4N2 and molecular weight 176.04 g/mol. IUPAC: 3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile.
Chemical Property Profile of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile
Property Insights of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile has 0 hydrogen bond donor(s) and 2 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 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile?
The CAS number of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile is 60521-70-2.
What is the molecular formula of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile?
The molecular formula of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile is C12H4N2.
What is the molecular weight of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile?
The molecular weight of 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile is 176.04 g/mol.
Where can I buy 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile?
You can request a quote for 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(2-Cyanoethynyl)phenyl]prop-2-ynenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.