(E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one
TL;DR: (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one (CAS 836640-89-2) is a chemical compound with molecular formula C23H15ClIN3O3 and molecular weight 542.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4-one
Also Known As: (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one, 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one, 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4-one, 2-[2-(4-chlorophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitro-phenyl)quinazolin-4-one
| Molecular Formula | C23H15ClIN3O3 |
|---|---|
| Molecular Weight | 542.98 g/mol |
| LogP | 6.03072 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.9847 |
| Heavy Atoms | 31 |
| Complexity | 1412.5107 |
Chemical Identifiers
| CAS Number | 836640-89-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one (CAS 836640-89-2), with molecular formula C23H15ClIN3O3 and molecular weight 542.98 g/mol. IUPAC: 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4-one.
Chemical Property Profile of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one
Property Insights of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one
The XLogP value of 6.03072 indicates that (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)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-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one?
The CAS number of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one is 836640-89-2.
What is the molecular formula of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one?
The molecular formula of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one is C23H15ClIN3O3.
What is the molecular weight of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one?
The molecular weight of (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one is 542.98 g/mol.
Where can I buy (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one?
You can request a quote for (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)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-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-chlorostyryl)-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.