(E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate
TL;DR: (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate (CAS 799800-73-0) is a chemical compound with molecular formula C25H18FIN2O3 and molecular weight 540.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3-yl]benzoate
Also Known As: (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate, ethyl 4-[2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3-yl]benzoate, Ethyl 4-[2-[2-(2-fluorophenyl)ethenyl]-6-iodo-4-oxo-quinazolin-3-yl]benzoate, ethyl 4-{2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3(4H)-yl}benzoate
| Molecular Formula | C25H18FIN2O3 |
|---|---|
| Molecular Weight | 540.03 g/mol |
| LogP | 5.4765 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.0346 |
| Heavy Atoms | 32 |
| Complexity | 1394.9741 |
Chemical Identifiers
| CAS Number | 799800-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=CC=C4F |
Product Overview
(E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate (CAS 799800-73-0), with molecular formula C25H18FIN2O3 and molecular weight 540.03 g/mol. IUPAC: ethyl 4-[2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3-yl]benzoate.
Chemical Property Profile of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate
Property Insights of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate
The XLogP value of 5.4765 indicates that (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate 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)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate?
The CAS number of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate is 799800-73-0.
What is the molecular formula of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate?
The molecular formula of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate is C25H18FIN2O3.
What is the molecular weight of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate?
The molecular weight of (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate is 540.03 g/mol.
Where can I buy (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate?
You can request a quote for (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-(2-fluorostyryl)-6-iodo-4-oxoquinazolin-3(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.