![Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate structure](/static/products/111/1110647-36-3.webp)
Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate
TL;DR: Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate (CAS 1110647-36-3) is a chemical compound with molecular formula C23H17IN2O3S and molecular weight 528.0005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[6-iodo-4-oxo-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-3-yl]benzoate
Also Known As: Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate, (E)-ethyl 4-(6-iodo-4-oxo-2-(2-(thiophen-2-yl)vinyl)quinazolin-3(4H)-yl)benzoate, ethyl 4-[6-iodo-4-oxo-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-3-yl]benzoate, ethyl 4-{6-iodo-4-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl]quinazolin-3(4H)-yl}benzoate
Technical Specifications
| Molecular Formula | C23H17IN2O3S |
| Molecular Weight | 528.0005 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.0005 Da |
| Heavy Atoms | 30 |
| Complexity | 705.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=CS4 |
| InChIKey | FJTRVBLIATYDNU-ZRDIBKRKSA-N |
Chemical Property Profile of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate
Property Insights of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate
The XLogP value of 5.1 indicates that Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate?
The CAS number of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate is 1110647-36-3.
What is the molecular formula of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate?
The molecular formula of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate is C23H17IN2O3S.
What is the molecular weight of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate?
The molecular weight of Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate is 528.0005 g/mol.
Where can I buy Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate?
You can request a quote for Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[6-iodo-4-oxo-2-(2-thiophen-2-ylethenyl)quinazolin-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.