4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile
TL;DR: 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile (CAS 477864-79-2) is a chemical compound with molecular formula C15H8ClN3O2 and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-chloro-3-hydroxy-4-oxoquinazolin-2-yl)benzonitrile
Also Known As: 4-(7-chloro-3-hydroxy-4-oxoquinazolin-2-yl)benzonitrile, 4-(7-chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile, 4-(7-chloro-3-hydroxy-4-oxo-3,4-dihydroquinazolin-2-yl)benzonitrile
| Molecular Formula | C15H8ClN3O2 |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 2.82588 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.03052 |
| Heavy Atoms | 21 |
| Complexity | 940.02045 |
Chemical Identifiers
| CAS Number | 477864-79-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O |
Product Overview
4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile (CAS 477864-79-2), with molecular formula C15H8ClN3O2 and molecular weight 297.03 g/mol. IUPAC: 4-(7-chloro-3-hydroxy-4-oxoquinazolin-2-yl)benzonitrile.
Chemical Property Profile of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile
Property Insights of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile
The XLogP value of 2.82588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile. Following Lipinski's Rule of Five, 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile has 1 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-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile?
The CAS number of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile is 477864-79-2.
What is the molecular formula of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile?
The molecular formula of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile is C15H8ClN3O2.
What is the molecular weight of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile?
The molecular weight of 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile is 297.03 g/mol.
Where can I buy 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile?
You can request a quote for 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(7-Chloro-3-hydroxy-4-oxo-3,4-dihydro-2-quinazolinyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.