(4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile
TL;DR: (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile (CAS 842-49-9) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
Also Known As: (2Z)-2-[(4Z)-4-hydroxyimino-3-methoxycyclohexa-2,5-dien-1-yl, (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile, 2-(4-hydroxyimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 842-49-9 |
|---|---|
| SMILES | COC1=CC(=C(C#N)C2=CC=CC=C2)C=CC1=NO |
| InChIKey | YBKTXKZDUUDTKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile (CAS 842-49-9), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: 2-(4-hydroxyimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile.
Chemical Property Profile of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile
Property Insights of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile. Following Lipinski's Rule of Five, (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile has 1 hydrogen bond donor(s) and 4 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-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
The CAS number of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile is 842-49-9.
What is the molecular formula of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
The molecular formula of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile is C15H12N2O2.
What is the molecular weight of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
The molecular weight of (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile is 252.09 g/mol.
Where can I buy (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
You can request a quote for (4-Hydroxyimino-3-methoxy-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-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Hydroxyimino-3-methoxy-cyclohexa-2,5-dienylidene)-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.