6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one
TL;DR: 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one (CAS 18732-25-7) is a chemical compound with molecular formula C22H22IN3O2S and molecular weight 519.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
Also Known As: 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one, 6-iodo-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one, 6-iodo-3-(4-methylphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one, 6-iodo-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
| Molecular Formula | C22H22IN3O2S |
|---|---|
| Molecular Weight | 519.05 g/mol |
| LogP | 4.40332 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.0477 |
| Heavy Atoms | 29 |
| Complexity | 1105.4807 |
Chemical Identifiers
| CAS Number | 18732-25-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)N4CCCCC4 |
Product Overview
6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one (CAS 18732-25-7), with molecular formula C22H22IN3O2S and molecular weight 519.05 g/mol. IUPAC: 6-iodo-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one.
Chemical Property Profile of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one
Property Insights of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one
The XLogP value of 4.40332 indicates that 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)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 55.2 Ų, 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one 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 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one?
The CAS number of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one is 18732-25-7.
What is the molecular formula of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one?
The molecular formula of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one is C22H22IN3O2S.
What is the molecular weight of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one?
The molecular weight of 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one is 519.05 g/mol.
Where can I buy 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one?
You can request a quote for 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)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-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-iodo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.