2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile
TL;DR: 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile (CAS 958-11-2) 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-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile
Also Known As: NCI60_003830, 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-yli, 2,.alpha.-acetonitrile, .alpha.-(p-chlorophenyl)-4-oxo-, oxime, 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile, (2Z)-(4-Chlorophenyl)[(4Z)-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene]acetonitrile
| Molecular Formula | C14H9ClN2O |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 3.1 |
| 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 | 467.0 |
Chemical Identifiers
| CAS Number | 958-11-2 |
|---|---|
| SMILES | C1=CC(=NO)C=CC1=C(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | CPQMRDWKXUVWAP-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile (CAS 958-11-2), with molecular formula C14H9ClN2O and molecular weight 256.04 g/mol. IUPAC: 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile
Property Insights of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile
The XLogP value of 3.1 indicates that 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)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-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)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-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile?
The CAS number of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile is 958-11-2.
What is the molecular formula of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile is C14H9ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile is 256.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.