4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile
TL;DR: 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile (CAS 842-13-7) is a chemical compound with molecular formula C14H8Cl2N2O and molecular weight 290.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-chlorophenyl)acetonitrile
Also Known As: NCIOpen2_006986, (2Z)-2-[(4Z)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-yli, [3-chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](4-chlorophenyl)acetonitrile, 2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-chlorophenyl)acetonitrile, 4-CHLORO-A-(3-CHLORO-4-HYDROXYIMINOCYCLOHEXADIEN-1-YLIDENE)-PHENYLACETONITRILE
| Molecular Formula | C14H8Cl2N2O |
|---|---|
| Molecular Weight | 290.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.00137 |
| Heavy Atoms | 19 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 842-13-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=C2C=CC(=NO)C(=C2)Cl)C#N)Cl |
| InChIKey | KASFVGQOBYGUEY-UHFFFAOYSA-N |
Product Overview
4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile (CAS 842-13-7), with molecular formula C14H8Cl2N2O and molecular weight 290.00 g/mol. IUPAC: 2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-chlorophenyl)acetonitrile.
Chemical Property Profile of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile
Property Insights of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile
The XLogP value of 3.9 indicates that 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile has 1 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 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile?
The CAS number of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile is 842-13-7.
What is the molecular formula of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile?
The molecular formula of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile is C14H8Cl2N2O.
What is the molecular weight of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile?
The molecular weight of 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile is 290.00 g/mol.
Where can I buy 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile?
You can request a quote for 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-A-(3-chloro-4-hydroxyiminocyclohexadien-1-ylidene)-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.