RefChem:1069131
TL;DR: RefChem:1069131 (CAS 114496-29-6) is a chemical compound with molecular formula C21H17IN4O2 and molecular weight 484.0396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]-2-ethyl-6-iodoquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-1H-imidazol-1-yl)-2-ethyl-6-iodo-, 3-[(4E)-4-benzylidene-2-methyl-5-oxo-imidazol-1-yl]-2-ethyl-6-iodo-quinazolin-4-one, 3-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]-2-ethyl-6-iodoquinazolin-4-one
Technical Specifications
| Molecular Formula | C21H17IN4O2 |
| Molecular Weight | 484.0396 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.0396 Da |
| Heavy Atoms | 28 |
| Complexity | 754.0 |
| SMILES | CCC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C/C4=CC=CC=C4)/C3=O)C |
| InChIKey | WMFKJTREMKTBRK-WOJGMQOQSA-N |
Chemical Property Profile of RefChem:1069131
Property Insights of RefChem:1069131
The XLogP value of 3.5 indicates that RefChem:1069131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069131. Following Lipinski's Rule of Five, RefChem:1069131 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 RefChem:1069131?
The CAS number of RefChem:1069131 is 114496-29-6.
What is the molecular formula of RefChem:1069131?
The molecular formula of RefChem:1069131 is C21H17IN4O2.
What is the molecular weight of RefChem:1069131?
The molecular weight of RefChem:1069131 is 484.0396 g/mol.
Where can I buy RefChem:1069131?
You can request a quote for RefChem:1069131 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069131?
Yes, CoreyChem provides custom synthesis services for RefChem:1069131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.