(E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
TL;DR: (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 799826-72-5) is a chemical compound with molecular formula C19H16ClIN2O2S and molecular weight 497.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-chlorobut-2-enyl]sulfanyl-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one
Also Known As: (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 2-(3-chlorobut-2-enylsulfanyl)-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one, 2-[(E)-3-chlorobut-2-enyl]sulfanyl-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one, 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
| Molecular Formula | C19H16ClIN2O2S |
|---|---|
| Molecular Weight | 497.97 g/mol |
| LogP | 5.2336 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.96658 |
| Heavy Atoms | 26 |
| Complexity | 1028.1288 |
Chemical Identifiers
| CAS Number | 799826-72-5 |
|---|---|
| SMILES | C/C(=C\CSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)OC)/Cl |
Product Overview
(E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 799826-72-5), with molecular formula C19H16ClIN2O2S and molecular weight 497.97 g/mol. IUPAC: 2-[(E)-3-chlorobut-2-enyl]sulfanyl-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Property Insights of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 5.2336 indicates that (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)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, (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)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 (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The CAS number of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 799826-72-5.
What is the molecular formula of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one is C19H16ClIN2O2S.
What is the molecular weight of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 497.97 g/mol.
Where can I buy (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)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 (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3-chlorobut-2-en-1-yl)thio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.