![4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile structure](/static/products/3389/338960-18-2.webp)
4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile
TL;DR: 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile (CAS 338960-18-2) is a chemical compound with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(methoxyamino)-2-nitroprop-2-enylidene]amino]benzonitrile
Also Known As: 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile, 4-[[3-(methoxyamino)-2-nitro-prop-2-enylidene]amino]benzonitrile, 4-[[3-(methoxyamino)-2-nitroprop-2-enylidene]amino]benzonitrile, 4-{[3-(methoxyimino)-2-nitro-1-propenyl]amino}benzenecarbonitrile
| Molecular Formula | C11H10N4O3 |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 1.52968 |
| Topological Polar Surface Area | 100.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.07529 |
| Heavy Atoms | 18 |
| Complexity | 514.085 |
Chemical Identifiers
| CAS Number | 338960-18-2 |
|---|---|
| SMILES | CONC=C(C=NC1=CC=C(C=C1)C#N)[N+](=O)[O-] |
Product Overview
4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile (CAS 338960-18-2), with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol. IUPAC: 4-[[3-(methoxyamino)-2-nitroprop-2-enylidene]amino]benzonitrile.
Chemical Property Profile of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile
Property Insights of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile
The XLogP value of 1.52968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile. The TPSA of 100.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile. Following Lipinski's Rule of Five, 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile has 1 hydrogen bond donor(s) and 6 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-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile?
The CAS number of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile is 338960-18-2.
What is the molecular formula of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile?
The molecular formula of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile is C11H10N4O3.
What is the molecular weight of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile?
The molecular weight of 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile is 246.08 g/mol.
Where can I buy 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile?
You can request a quote for 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]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-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.