(E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile
TL;DR: (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile (CAS 394231-40-4) is a chemical compound with molecular formula C18H11ClN2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]propanedinitrile
Also Known As: J3.261.595C, 2-[(2E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-ylidene]propanedinitrile, (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile, F0729-0048, 2-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]propanedinitrile
| Molecular Formula | C18H11ClN2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 4.85416 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06107 |
| Heavy Atoms | 21 |
| Complexity | 741.6059 |
Chemical Identifiers
| CAS Number | 394231-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=C(C#N)C#N)C2=CC=C(C=C2)Cl |
Product Overview
(E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile (CAS 394231-40-4), with molecular formula C18H11ClN2 and molecular weight 290.06 g/mol. IUPAC: 2-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]propanedinitrile.
Chemical Property Profile of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile
Property Insights of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile
The XLogP value of 4.85416 indicates that (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile 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 (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile?
The CAS number of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile is 394231-40-4.
What is the molecular formula of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile?
The molecular formula of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile is C18H11ClN2.
What is the molecular weight of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile?
The molecular weight of (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile is 290.06 g/mol.
Where can I buy (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile?
You can request a quote for (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1-(4-chlorophenyl)-3-phenylallylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.