![2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile structure](/static/products/1245/124571-67-1.webp)
2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile
TL;DR: 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile (CAS 124571-67-1) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile
Also Known As: 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile, J1.140.189I, J3.156.641J, Malonodinitrile, 2-(3-dimethylamino-1-phenyl-2-propenylideno)-, [(2E)-1-Phenyl-3-(dimethylamino)allylidene]malononitrile
| Molecular Formula | C14H13N3 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.56266 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.11095 |
| Heavy Atoms | 17 |
| Complexity | 494.63858 |
Chemical Identifiers
| CAS Number | 124571-67-1 |
|---|---|
| SMILES | CN(C)/C=C/C(=C(C#N)C#N)C1=CC=CC=C1 |
Product Overview
2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile (CAS 124571-67-1), with molecular formula C14H13N3 and molecular weight 223.11 g/mol. IUPAC: 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile
Property Insights of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile
The XLogP value of 2.56266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-3-(dimethylamino)-1-phenylprop-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
Frequently Asked Questions
What is the CAS number of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile?
The CAS number of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile is 124571-67-1.
What is the molecular formula of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile?
The molecular formula of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile is C14H13N3.
What is the molecular weight of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile?
The molecular weight of 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile is 223.11 g/mol.
Where can I buy 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile?
You can request a quote for 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.