6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
TL;DR: 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one (CAS 20864-57-7) is a chemical compound with molecular formula C16H13IN2O2S and molecular weight 423.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-3-(2-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
Also Known As: 6-iodo-3-(2-methoxyphenyl)-2-methylsulfanyl-quinazolin-4-one, 6-iodo-3-(2-methoxyphenyl)-2-methylsulfanylquinazolin-4-one, 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one, 6-iodo-3-(2-methoxyphenyl)-2-(methylthio)quinazolin-4(3H)-one
| Molecular Formula | C16H13IN2O2S |
|---|---|
| Molecular Weight | 423.97 g/mol |
| LogP | 3.7208 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.97424 |
| Heavy Atoms | 22 |
| Complexity | 908.2767 |
Chemical Identifiers
| CAS Number | 20864-57-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)I)N=C2SC |
Product Overview
6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one (CAS 20864-57-7), with molecular formula C16H13IN2O2S and molecular weight 423.97 g/mol. IUPAC: 6-iodo-3-(2-methoxyphenyl)-2-methylsulfanylquinazolin-4-one.
Chemical Property Profile of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
Property Insights of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
The XLogP value of 3.7208 indicates that 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)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 44.12 Ų, 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one 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 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
The CAS number of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is 20864-57-7.
What is the molecular formula of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
The molecular formula of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is C16H13IN2O2S.
What is the molecular weight of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
The molecular weight of 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is 423.97 g/mol.
Where can I buy 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
You can request a quote for 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)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-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-iodo-3-(2-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.