6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one
TL;DR: 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one (CAS 799801-40-4) is a chemical compound with molecular formula C20H19IN2OS and molecular weight 462.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-3-(2-methylprop-2-enyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one
Also Known As: 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one, 6-iodo-3-(2-methylprop-2-enyl)-2-phenethylsulfanylquinazolin-4-one, 6-iodo-3-(2-methylprop-2-enyl)-2-phenethylsulfanyl-quinazolin-4-one, 6-iodo-3-(2-methylprop-2-en-1-yl)-2-[(2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C20H19IN2OS |
|---|---|
| Molecular Weight | 462.03 g/mol |
| LogP | 4.912 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.02628 |
| Heavy Atoms | 25 |
| Complexity | 966.5873 |
Chemical Identifiers
| CAS Number | 799801-40-4 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCCC3=CC=CC=C3 |
Product Overview
6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one (CAS 799801-40-4), with molecular formula C20H19IN2OS and molecular weight 462.03 g/mol. IUPAC: 6-iodo-3-(2-methylprop-2-enyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one.
Chemical Property Profile of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one
Property Insights of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one
The XLogP value of 4.912 indicates that 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one 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 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one?
The CAS number of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one is 799801-40-4.
What is the molecular formula of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one?
The molecular formula of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one is C20H19IN2OS.
What is the molecular weight of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one?
The molecular weight of 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one is 462.03 g/mol.
Where can I buy 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one?
You can request a quote for 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-iodo-3-(2-methylallyl)-2-(phenethylthio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.