![5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile structure](/static/products/1274/1274948-01-4.webp)
5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1274948-01-4) is a chemical compound with molecular formula C19H12N6O5 and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
Also Known As: 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
| Molecular Formula | C19H12N6O5 |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 2.07388 |
| Topological Polar Surface Area | 158.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0869 |
| Heavy Atoms | 30 |
| Complexity | 1293.4928 |
Chemical Identifiers
| CAS Number | 1274948-01-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=NC3=C(N(C(=O)N=C3C#N)C4=CC=CC=C4)N)[N+](=O)[O-] |
Product Overview
5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1274948-01-4), with molecular formula C19H12N6O5 and molecular weight 404.09 g/mol. IUPAC: 6-amino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile.
Chemical Property Profile of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
The XLogP value of 2.07388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile. The TPSA of 158.66 Ų indicates high polarity, suggesting 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile has 1 hydrogen bond donor(s) and 9 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 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 1274948-01-4.
What is the molecular formula of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is C19H12N6O5.
What is the molecular weight of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 404.09 g/mol.
Where can I buy 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Aza-2-(6-nitrobenzo[3,4-d]1,3-dioxolan-5-yl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.