p-Methoxybenzylidene-p-chlorophenylacetonitrile
TL;DR: p-Methoxybenzylidene-p-chlorophenylacetonitrile (CAS 7256-14-6) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: KST-1A7873, p-Methoxybenzylidene-p-chlorophenylacetonitrile, 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)acrylonitrile, J2.545.104J, AB00097557-01
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 7256-14-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl |
| InChIKey | VXRHURWDVQKETO-GXDHUFHOSA-N |
Product Overview
p-Methoxybenzylidene-p-chlorophenylacetonitrile (CAS 7256-14-6), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of p-Methoxybenzylidene-p-chlorophenylacetonitrile
Property Insights of p-Methoxybenzylidene-p-chlorophenylacetonitrile
The XLogP value of 4.3 indicates that p-Methoxybenzylidene-p-chlorophenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, p-Methoxybenzylidene-p-chlorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Methoxybenzylidene-p-chlorophenylacetonitrile 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 p-Methoxybenzylidene-p-chlorophenylacetonitrile?
The CAS number of p-Methoxybenzylidene-p-chlorophenylacetonitrile is 7256-14-6.
What is the molecular formula of p-Methoxybenzylidene-p-chlorophenylacetonitrile?
The molecular formula of p-Methoxybenzylidene-p-chlorophenylacetonitrile is C16H12ClNO.
What is the molecular weight of p-Methoxybenzylidene-p-chlorophenylacetonitrile?
The molecular weight of p-Methoxybenzylidene-p-chlorophenylacetonitrile is 269.06 g/mol.
Where can I buy p-Methoxybenzylidene-p-chlorophenylacetonitrile?
You can request a quote for p-Methoxybenzylidene-p-chlorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Methoxybenzylidene-p-chlorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for p-Methoxybenzylidene-p-chlorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.