RefChem:1097368
TL;DR: RefChem:1097368 (CAS 69959-22-4) is a chemical compound with molecular formula C20H17N5O5 and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyridin-1-ium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Also Known As: Pyridinium, 1-methyl-, salt with 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione, hydrate (1:1:1), 1-methylpyridine; 1-[[5-(4-nitrophenyl)-2-furyl]methylideneamino]-4-oxo-5H-imidazol-2-olate, RefChem:1097368
| Molecular Formula | C20H17N5O5 |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 1.8942 |
| Topological Polar Surface Area | 128.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.12296 |
| Heavy Atoms | 30 |
| Complexity | 1090.2897 |
Chemical Identifiers
| CAS Number | 69959-22-4 |
|---|---|
| SMILES | C[N+]1=CC=CC=C1.C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-] |
Product Overview
RefChem:1097368 (CAS 69959-22-4), with molecular formula C20H17N5O5 and molecular weight 407.12 g/mol. IUPAC: 1-methylpyridin-1-ium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate.
Chemical Property Profile of RefChem:1097368
Property Insights of RefChem:1097368
The XLogP value of 1.8942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097368. The TPSA of 128.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097368. Following Lipinski's Rule of Five, RefChem:1097368 has 0 hydrogen bond donor(s) and 6 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:1097368?
The CAS number of RefChem:1097368 is 69959-22-4.
What is the molecular formula of RefChem:1097368?
The molecular formula of RefChem:1097368 is C20H17N5O5.
What is the molecular weight of RefChem:1097368?
The molecular weight of RefChem:1097368 is 407.12 g/mol.
Where can I buy RefChem:1097368?
You can request a quote for RefChem:1097368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097368?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.