2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile
TL;DR: 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile (CAS 958-67-8) is a chemical compound with molecular formula C14H9ClN2O and molecular weight 256.04 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-phenylacetonitrile
Also Known As: (2E)-2-[(4E)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-yli, 2-(3-chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile, 2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
| Molecular Formula | C14H9ClN2O |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.04034 |
| Heavy Atoms | 18 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 958-67-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2)Cl)C#N |
| InChIKey | PUGDLVPAXCLGPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile (CAS 958-67-8), with molecular formula C14H9ClN2O and molecular weight 256.04 g/mol. IUPAC: 2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile.
Chemical Property Profile of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile
Property Insights of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile
The XLogP value of 3.3 indicates that 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile 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 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile?
The CAS number of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile is 958-67-8.
What is the molecular formula of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile?
The molecular formula of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile is C14H9ClN2O.
What is the molecular weight of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile?
The molecular weight of 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile is 256.04 g/mol.
Where can I buy 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile?
You can request a quote for 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.