![3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile structure](/static/products/909/909236-29-9.png)
3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile
TL;DR: 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile (CAS 909236-29-9) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-oxoquinazolin-3-yl)methyl]benzonitrile
Also Known As: 3-[(4-oxoquinazolin-3-yl)methyl]benzonitrile, 3-[(4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile, 3-(4-Oxo-4H-quinazolin-3-ylmethyl)-benzonitrile, AO-080/43442021, 3-[(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)METHYL]BENZONITRILE
| Molecular Formula | C16H11N3O |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.31648 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0902 |
| Heavy Atoms | 20 |
| Complexity | 874.51465 |
Chemical Identifiers
| CAS Number | 909236-29-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC(=CC=C3)C#N |
Product Overview
3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile (CAS 909236-29-9), with molecular formula C16H11N3O and molecular weight 261.09 g/mol. IUPAC: 3-[(4-oxoquinazolin-3-yl)methyl]benzonitrile.
Chemical Property Profile of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile
Property Insights of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile
The XLogP value of 2.31648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Oxoquinazolin-3-yl)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 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile?
The CAS number of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile is 909236-29-9.
What is the molecular formula of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile?
The molecular formula of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile is C16H11N3O.
What is the molecular weight of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile?
The molecular weight of 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile is 261.09 g/mol.
Where can I buy 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile?
You can request a quote for 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Oxoquinazolin-3-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.