![2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile structure](/static/products/5654/5654-71-7.webp)
2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
TL;DR: 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile (CAS 5654-71-7) is a chemical compound with molecular formula C16H10N4O3 and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-nitro-4-oxoquinazolin-3-yl)methyl]benzonitrile
Also Known As: 2-[(7-nitro-4-oxoquinazolin-3-yl)methyl]benzonitrile, 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
| Molecular Formula | C16H10N4O3 |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.22468 |
| Topological Polar Surface Area | 101.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0753 |
| Heavy Atoms | 23 |
| Complexity | 1017.74445 |
Chemical Identifiers
| CAS Number | 5654-71-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C#N |
Product Overview
2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile (CAS 5654-71-7), with molecular formula C16H10N4O3 and molecular weight 306.08 g/mol. IUPAC: 2-[(7-nitro-4-oxoquinazolin-3-yl)methyl]benzonitrile.
Chemical Property Profile of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
Property Insights of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
The XLogP value of 2.22468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile. The TPSA of 101.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 5 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 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile?
The CAS number of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile is 5654-71-7.
What is the molecular formula of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile?
The molecular formula of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile is C16H10N4O3.
What is the molecular weight of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile?
The molecular weight of 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile is 306.08 g/mol.
Where can I buy 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile?
You can request a quote for 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(7-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.