(4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile
TL;DR: (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile (CAS 728-65-4) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
Also Known As: (2Z)-2-[(4Z)-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-yli, (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile, 2-(4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
| Molecular Formula | C15H12N2O |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09496 |
| Heavy Atoms | 18 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 728-65-4 |
|---|---|
| SMILES | CC1=CC(=C(C#N)C2=CC=CC=C2)C=CC1=NO |
| InChIKey | ZIXGUBOBZGPBQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile (CAS 728-65-4), with molecular formula C15H12N2O and molecular weight 236.09 g/mol. IUPAC: 2-(4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile.
Chemical Property Profile of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile
Property Insights of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile. With a topological polar surface area (TPSA) of 56.4 Ų, (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-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-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
The CAS number of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile is 728-65-4.
What is the molecular formula of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
The molecular formula of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile is C15H12N2O.
What is the molecular weight of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
The molecular weight of (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile is 236.09 g/mol.
Where can I buy (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
You can request a quote for (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Hydroxyimino-3-methyl-cyclohexa-2,5-dienylidene)-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.