3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone
TL;DR: 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone (CAS 6627-30-1) is a chemical compound with molecular formula C15H10IN3O3 and molecular weight 406.97668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-iodo-2-nitrophenyl)methyl]quinazolin-4-one
Also Known As: 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone, 3-[(4-iodo-2-nitro-phenyl)methyl]quinazolin-4-one, 3-[(4-iodo-2-nitrophenyl)methyl]quinazolin-4-one
Technical Specifications
| Molecular Formula | C15H10IN3O3 |
| Molecular Weight | 406.97668 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.97668 Da |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=C(C=C(C=C3)I)[N+](=O)[O-] |
| InChIKey | HUZMGIBUDVCWPX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone
Property Insights of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone?
The CAS number of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone is 6627-30-1.
What is the molecular formula of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone?
The molecular formula of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone is C15H10IN3O3.
What is the molecular weight of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone?
The molecular weight of 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone is 406.97668 g/mol.
Where can I buy 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone?
You can request a quote for 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone?
Yes, CoreyChem provides custom synthesis services for 3-(4-iodo-2-nitrobenzyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.