Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride
TL;DR: Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride (CAS 56344-92-4) is a chemical compound with molecular formula C16H12ClN3O and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-oxoquinazolin-3-yl)benzonitrile;hydrochloride
Also Known As: 2-Methyl-3-(o-cyanophenyl)-4(3H)-quinazolone hydrochloride, Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride, 2-(2-Methyl-4-oxo-3(4H)-quinazolinyl)benzonitrile monohydrochloride, 2-(2-methyl-4-oxoquinazolin-3-yl)benzonitrile hydrochloride, 2-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzonitrile--hydrogen chloride (1/1)
| Molecular Formula | C16H12ClN3O |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.9876 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.0669 |
| Heavy Atoms | 21 |
| Complexity | 909.27454 |
Chemical Identifiers
| CAS Number | 56344-92-4 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C#N.Cl |
Product Overview
Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride (CAS 56344-92-4), with molecular formula C16H12ClN3O and molecular weight 297.07 g/mol. IUPAC: 2-(2-methyl-4-oxoquinazolin-3-yl)benzonitrile;hydrochloride.
Chemical Property Profile of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride
Property Insights of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride
The XLogP value of 2.9876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 58.68 Ų, Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride 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 Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride?
The CAS number of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride is 56344-92-4.
What is the molecular formula of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride?
The molecular formula of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride is C16H12ClN3O.
What is the molecular weight of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride?
The molecular weight of Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride is 297.07 g/mol.
Where can I buy Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride?
You can request a quote for Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.