3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile
TL;DR: 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile (CAS 104089-74-9) is a chemical compound with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)prop-2-enenitrile
Also Known As: BAS 08873090, 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile, (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)prop-2-enenitrile, (2Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-propenenitrile
| Molecular Formula | C16H10ClNO2 |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04 |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 104089-74-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)Cl |
| InChIKey | DLQRXFJDEIGQFF-NTUHNPAUSA-N |
Product Overview
3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile (CAS 104089-74-9), with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile
Property Insights of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile
The XLogP value of 4.1 indicates that 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile 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 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile?
The CAS number of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile is 104089-74-9.
What is the molecular formula of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile?
The molecular formula of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile is C16H10ClNO2.
What is the molecular weight of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile?
The molecular weight of 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile is 283.04 g/mol.
Where can I buy 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile?
You can request a quote for 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.