4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
TL;DR: 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile (CAS 287916-60-3) is a chemical compound with molecular formula C16H8N4O and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
Also Known As: 4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile, 4-(4-oxo-3(4H)-quinazolinyl)phthalonitrile, 4-(4-oxoquinazolin-3(4H)-yl)phthalonitrile, 4-(4-oxoquinazolin-3(4H)-yl)benzene-1,2-dicarbonitrile, A1797/0076066
| Molecular Formula | C16H8N4O |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.06982 |
| Heavy Atoms | 21 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 287916-60-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)C#N)C#N |
| InChIKey | AUPAQYJOUZGIEJ-UHFFFAOYSA-N |
Product Overview
4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile (CAS 287916-60-3), with molecular formula C16H8N4O and molecular weight 272.07 g/mol. IUPAC: 4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
Property Insights of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile 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-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile?
The CAS number of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile is 287916-60-3.
What is the molecular formula of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile?
The molecular formula of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile is C16H8N4O.
What is the molecular weight of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile?
The molecular weight of 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile is 272.07 g/mol.
Where can I buy 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile?
You can request a quote for 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.