Benzylidene-p-isopropylphenylacetonitrile
TL;DR: Benzylidene-p-isopropylphenylacetonitrile (CAS 4452-07-7) is a chemical compound with molecular formula C18H17N and molecular weight 247.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-phenyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile
Also Known As: Benzylidene-p-isopropylphenylacetonitrile, (Z)-2-phenyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile
| Molecular Formula | C18H17N |
|---|---|
| Molecular Weight | 247.14 g/mol |
| LogP | 4.87418 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.1361 |
| Heavy Atoms | 19 |
| Complexity | 598.3886 |
Chemical Identifiers
| CAS Number | 4452-07-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=C2 |
Product Overview
Benzylidene-p-isopropylphenylacetonitrile (CAS 4452-07-7), with molecular formula C18H17N and molecular weight 247.14 g/mol. IUPAC: (Z)-2-phenyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of Benzylidene-p-isopropylphenylacetonitrile
Property Insights of Benzylidene-p-isopropylphenylacetonitrile
The XLogP value of 4.87418 indicates that Benzylidene-p-isopropylphenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Benzylidene-p-isopropylphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidene-p-isopropylphenylacetonitrile has 0 hydrogen bond donor(s) and 1 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 Benzylidene-p-isopropylphenylacetonitrile?
The CAS number of Benzylidene-p-isopropylphenylacetonitrile is 4452-07-7.
What is the molecular formula of Benzylidene-p-isopropylphenylacetonitrile?
The molecular formula of Benzylidene-p-isopropylphenylacetonitrile is C18H17N.
What is the molecular weight of Benzylidene-p-isopropylphenylacetonitrile?
The molecular weight of Benzylidene-p-isopropylphenylacetonitrile is 247.14 g/mol.
Where can I buy Benzylidene-p-isopropylphenylacetonitrile?
You can request a quote for Benzylidene-p-isopropylphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidene-p-isopropylphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Benzylidene-p-isopropylphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.