2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one
TL;DR: 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one (CAS 797018-26-9) is a chemical compound with molecular formula C19H16ClIN2OS and molecular weight 481.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorobut-2-enylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4-one
Also Known As: 2-(3-chlorobut-2-enylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4-one, 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one
| Molecular Formula | C19H16ClIN2OS |
|---|---|
| Molecular Weight | 481.97 g/mol |
| LogP | 5.53342 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.97165 |
| Heavy Atoms | 25 |
| Complexity | 1008.3481 |
Chemical Identifiers
| CAS Number | 797018-26-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC=C(C)Cl |
Product Overview
2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one (CAS 797018-26-9), with molecular formula C19H16ClIN2OS and molecular weight 481.97 g/mol. IUPAC: 2-(3-chlorobut-2-enylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one
Property Insights of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one
The XLogP value of 5.53342 indicates that 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-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 34.89 Ų, 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one?
The CAS number of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one is 797018-26-9.
What is the molecular formula of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one?
The molecular formula of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one is C19H16ClIN2OS.
What is the molecular weight of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one?
The molecular weight of 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one is 481.97 g/mol.
Where can I buy 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one?
You can request a quote for 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-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 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.