4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile
TL;DR: 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile (CAS 754196-68-4) is a chemical compound with molecular formula C23H17N3O2S and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile, 4-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile, 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)methyl)benzonitrile, 4-(((3-(4-METHOXYPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ME)BENZONITRILE, 4-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}methyl)benzonitrile
| Molecular Formula | C23H17N3O2S |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 4.55828 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.10416 |
| Heavy Atoms | 29 |
| Complexity | 1256.784 |
Chemical Identifiers
| CAS Number | 754196-68-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N |
Product Overview
4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile (CAS 754196-68-4), with molecular formula C23H17N3O2S and molecular weight 399.10 g/mol. IUPAC: 4-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile
Property Insights of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile
The XLogP value of 4.55828 indicates that 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile. Following Lipinski's Rule of Five, 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile has 0 hydrogen bond donor(s) and 5 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-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile?
The CAS number of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile is 754196-68-4.
What is the molecular formula of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile?
The molecular formula of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile is C23H17N3O2S.
What is the molecular weight of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile?
The molecular weight of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile is 399.10 g/mol.
Where can I buy 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile?
You can request a quote for 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)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-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.