![2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile structure](/static/products/1220/122055-54-3.webp)
2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile
TL;DR: 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile (CAS 122055-54-3) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-methoxyphenyl)prop-2-enylidene]propanedinitrile
Also Known As: 4-Methoxycinnamal malononitrile, 2-[3-(4-methoxyphenyl)prop-2-enylidene]propanedinitrile, 1,1-dicyano-4-(p-methoxyphenyl)-butadiene, 2-[(E)-3-(4-methoxyphenyl)-2-propenylidene]malononitrile, (3-(4-METHOXYPHENYL)PROP-2-ENYLIDENE)METHANE-1,1-DICARBONITRILE
Technical Specifications
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.07932 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07932 Da |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
| SMILES | COC1=CC=C(C=C1)C=CC=C(C#N)C#N |
| InChIKey | ASQQJHPXTIBFRU-UHFFFAOYSA-N |
Chemical Property Profile of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile
Property Insights of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile. With a topological polar surface area (TPSA) of 56.8 Ų, 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile?
The CAS number of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile is 122055-54-3.
What is the molecular formula of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile?
The molecular formula of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile is C13H10N2O.
What is the molecular weight of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile?
The molecular weight of 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile is 210.07932 g/mol.
Where can I buy 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile?
You can request a quote for 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[3-(4-Methoxyphenyl)prop-2-enylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.