RefChem:1069139
TL;DR: RefChem:1069139 (CAS 114496-31-0) is a chemical compound with molecular formula C23H21IN4O4 and molecular weight 544.0607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-ethyl-6-iodoquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(4-((3,4-dimethoxyphenyl)methylene)-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-2-ethyl-6-iodo-, 3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-ethyl-6-iodoquinazolin-4-one
Technical Specifications
| Molecular Formula | C23H21IN4O4 |
| Molecular Weight | 544.0607 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.0607 Da |
| Heavy Atoms | 32 |
| Complexity | 857.0 |
| SMILES | CCC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=O)C |
| InChIKey | ISUOUZIJAWOFAM-ZDLGFXPLSA-N |
Chemical Property Profile of RefChem:1069139
Property Insights of RefChem:1069139
The XLogP value of 3.4 indicates that RefChem:1069139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069139. Following Lipinski's Rule of Five, RefChem:1069139 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1069139?
The CAS number of RefChem:1069139 is 114496-31-0.
What is the molecular formula of RefChem:1069139?
The molecular formula of RefChem:1069139 is C23H21IN4O4.
What is the molecular weight of RefChem:1069139?
The molecular weight of RefChem:1069139 is 544.0607 g/mol.
Where can I buy RefChem:1069139?
You can request a quote for RefChem:1069139 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069139?
Yes, CoreyChem provides custom synthesis services for RefChem:1069139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.