4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile
TL;DR: 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile (CAS 284682-49-1) is a chemical compound with molecular formula C17H10BrN3O2 and molecular weight 367.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]benzonitrile
Also Known As: 4-((6-BROMO-4-OXO-3(4H)-QUINAZOLINYL)ACETYL)BENZONITRILE, 4-(2-(6-Bromo-4-oxoquinazolin-3(4H)-yl)acetyl)benzonitrile, 4-[2-(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)acetyl]benzonitrile, 4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]benzonitrile, 4-[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]benzonitrile
| Molecular Formula | C17H10BrN3O2 |
|---|---|
| Molecular Weight | 367.00 g/mol |
| LogP | 2.91358 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.99564 |
| Heavy Atoms | 23 |
| Complexity | 1001.00757 |
Chemical Identifiers
| CAS Number | 284682-49-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br |
Product Overview
4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile (CAS 284682-49-1), with molecular formula C17H10BrN3O2 and molecular weight 367.00 g/mol. IUPAC: 4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]benzonitrile.
Chemical Property Profile of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile
Property Insights of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile
The XLogP value of 2.91358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile. Following Lipinski's Rule of Five, 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile has 0 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-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile?
The CAS number of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile is 284682-49-1.
What is the molecular formula of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile?
The molecular formula of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile is C17H10BrN3O2.
What is the molecular weight of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile?
The molecular weight of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile is 367.00 g/mol.
Where can I buy 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile?
You can request a quote for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)acetyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.