![4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile structure](/static/products/4764/476484-64-7.webp)
4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
TL;DR: 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile (CAS 476484-64-7) is a chemical compound with molecular formula C22H14ClN3OS and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile, 4-(((3-(4-Chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)methyl)benzonitrile, 4-[[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile, 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)benzonitrile, 4-{[3-(4-chlorophenyl)-4-oxo-3-hydroquinazolin-2-ylthio]methyl}benzenecarbonit rile
| Molecular Formula | C22H14ClN3OS |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 5.20308 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0546 |
| Heavy Atoms | 28 |
| Complexity | 1242.2518 |
Chemical Identifiers
| CAS Number | 476484-64-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl |
Product Overview
4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile (CAS 476484-64-7), with molecular formula C22H14ClN3OS and molecular weight 403.05 g/mol. IUPAC: 4-[[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Property Insights of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
The XLogP value of 5.20308 indicates that 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)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, 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile?
The CAS number of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile is 476484-64-7.
What is the molecular formula of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile?
The molecular formula of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile is C22H14ClN3OS.
What is the molecular weight of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile?
The molecular weight of 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile is 403.05 g/mol.
Where can I buy 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile?
You can request a quote for 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.