![3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile structure](/static/products/6773/677302-23-7.webp)
3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile
TL;DR: 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile (CAS 677302-23-7) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile
Also Known As: 3-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile, AO-080/41811125, 3-{[(3-methyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]methyl}benzonitrile, 3-{[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]methyl}benzonitrile, 3-{[(3-methyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]methyl}benzonitrile
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.09748 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 940.5223 |
Chemical Identifiers
| CAS Number | 677302-23-7 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)C#N |
Product Overview
3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile (CAS 677302-23-7), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: 3-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile
Property Insights of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile
The XLogP value of 3.09748 indicates that 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]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, 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile 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 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile?
The CAS number of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile is 677302-23-7.
What is the molecular formula of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile is C17H13N3OS.
What is the molecular weight of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile is 307.08 g/mol.
Where can I buy 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.