4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile
TL;DR: 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile (CAS 302913-50-4) is a chemical compound with molecular formula C16H10BrN3O and molecular weight 339.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
Also Known As: 4-((6-Bromo-4-oxoquinazolin-3(4H)-yl)methyl)benzonitrile, 4-((6-BROMO-4-OXO-3(4H)-QUINAZOLINYL)METHYL)BENZONITRILE, 4-[(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzonitrile, 4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile, 658-534-0
| Molecular Formula | C16H10BrN3O |
|---|---|
| Molecular Weight | 339.00 g/mol |
| LogP | 3.07898 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.00073 |
| Heavy Atoms | 21 |
| Complexity | 907.4388 |
Chemical Identifiers
| CAS Number | 302913-50-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)Br)C#N |
Product Overview
4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile (CAS 302913-50-4), with molecular formula C16H10BrN3O and molecular weight 339.00 g/mol. IUPAC: 4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile.
Chemical Property Profile of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile
Property Insights of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile
The XLogP value of 3.07898 indicates that 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile has 0 hydrogen bond donor(s) and 3 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)methyl)benzonitrile?
The CAS number of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile is 302913-50-4.
What is the molecular formula of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile?
The molecular formula of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile is C16H10BrN3O.
What is the molecular weight of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile?
The molecular weight of 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile is 339.00 g/mol.
Where can I buy 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile?
You can request a quote for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)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)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.