![4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile structure](/static/products/921/92175-86-5.png)
4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile
TL;DR: 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile (CAS 92175-86-5) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-2-[(2-hydroxyphenyl)methylideneamino]benzonitrile
Also Known As: Benzonitrile, 4-acetyl-2-[[(2-hydroxyphenyl)methylene]amino]-, 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile, 4-acetyl-2-{[(1E)-(2-hydroxyphenyl)methylene]amino}benzonitrile, 4-acetyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzonitrile, L-Alanine,N-(4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl)-,(R)
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 92175-86-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)C#N)N=CC2=CC=CC=C2O |
| InChIKey | GOHYRCDWCGINKL-UHFFFAOYSA-N |
Product Overview
4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile (CAS 92175-86-5), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 4-acetyl-2-[(2-hydroxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile
Property Insights of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile. Following Lipinski's Rule of Five, 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile 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-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile?
The CAS number of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile is 92175-86-5.
What is the molecular formula of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile?
The molecular formula of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile is C16H12N2O2.
What is the molecular weight of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile?
The molecular weight of 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile is 264.09 g/mol.
Where can I buy 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile?
You can request a quote for 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-2-{[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.