RefChem:1071972
TL;DR: RefChem:1071972 (CAS 85998-78-3) is a chemical compound with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((2-chlorophenyl)methylene)-3-((6-methoxy-2-methyl-4-quinolinyl)amino)-2-methyl-, (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one, RefChem:1071972
| Molecular Formula | C22H19ClN4O2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 4.83382 |
| Topological Polar Surface Area | 66.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.11966 |
| Heavy Atoms | 29 |
| Complexity | 1186.6459 |
Chemical Identifiers
| CAS Number | 85998-78-3 |
|---|---|
| SMILES | CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC=CC=C4Cl)/C3=O)C |
Product Overview
RefChem:1071972 (CAS 85998-78-3), with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol. IUPAC: (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one.
Chemical Property Profile of RefChem:1071972
Property Insights of RefChem:1071972
The XLogP value of 4.83382 indicates that RefChem:1071972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071972. Following Lipinski's Rule of Five, RefChem:1071972 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071972?
The CAS number of RefChem:1071972 is 85998-78-3.
What is the molecular formula of RefChem:1071972?
The molecular formula of RefChem:1071972 is C22H19ClN4O2.
What is the molecular weight of RefChem:1071972?
The molecular weight of RefChem:1071972 is 406.12 g/mol.
Where can I buy RefChem:1071972?
You can request a quote for RefChem:1071972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.