RefChem:1058019
TL;DR: RefChem:1058019 (CAS 69959-27-9) is a chemical compound with molecular formula C19H18N6O5 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylimidazol-1-ium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Also Known As: 1H-Imidazolium, 1,3-dimethyl-, salt with 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione (1:1), 1,3-dimethylimidazole; 1-[[5-(4-nitrophenyl)-2-furyl]methylideneamino]-4-oxo-5H-imidazol-2-olate, RefChem:1058019
| Molecular Formula | C19H18N6O5 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 1.2327 |
| Topological Polar Surface Area | 133.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.13388 |
| Heavy Atoms | 30 |
| Complexity | 1096.1509 |
Chemical Identifiers
| CAS Number | 69959-27-9 |
|---|---|
| SMILES | CN1C=C[N+](=C1)C.C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-] |
Product Overview
RefChem:1058019 (CAS 69959-27-9), with molecular formula C19H18N6O5 and molecular weight 410.13 g/mol. IUPAC: 1,3-dimethylimidazol-1-ium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate.
Chemical Property Profile of RefChem:1058019
Property Insights of RefChem:1058019
The XLogP value of 1.2327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058019. The TPSA of 133.18 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058019. Following Lipinski's Rule of Five, RefChem:1058019 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:1058019?
The CAS number of RefChem:1058019 is 69959-27-9.
What is the molecular formula of RefChem:1058019?
The molecular formula of RefChem:1058019 is C19H18N6O5.
What is the molecular weight of RefChem:1058019?
The molecular weight of RefChem:1058019 is 410.13 g/mol.
Where can I buy RefChem:1058019?
You can request a quote for RefChem:1058019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058019?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.