RefChem:1058469
TL;DR: RefChem:1058469 (CAS 69959-28-0) is a chemical compound with molecular formula C28H28Cl2N6O4 and molecular weight 582.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate;(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-trimethylazanium
Also Known As: 1H-Pyrazol-4-aminium, 2,3-dihydro-3-oxo-N,N,N,1,5-pentamethyl-2-phenyl-, salt with (1-(((5-(3,4-dichlorophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione (1:1), RefChem:1058469
| Molecular Formula | C28H28Cl2N6O4 |
|---|---|
| Molecular Weight | 582.15 g/mol |
| LogP | 4.46282 |
| Topological Polar Surface Area | 108.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 582.1549 |
| Heavy Atoms | 40 |
| Complexity | 1662.1487 |
Chemical Identifiers
| CAS Number | 69959-28-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N+](C)(C)C.C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)[O-] |
Product Overview
RefChem:1058469 (CAS 69959-28-0), with molecular formula C28H28Cl2N6O4 and molecular weight 582.15 g/mol. IUPAC: 3-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate;(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-trimethylazanium.
Chemical Property Profile of RefChem:1058469
Property Insights of RefChem:1058469
The XLogP value of 4.46282 indicates that RefChem:1058469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058469. Following Lipinski's Rule of Five, RefChem:1058469 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058469?
The CAS number of RefChem:1058469 is 69959-28-0.
What is the molecular formula of RefChem:1058469?
The molecular formula of RefChem:1058469 is C28H28Cl2N6O4.
What is the molecular weight of RefChem:1058469?
The molecular weight of RefChem:1058469 is 582.15 g/mol.
Where can I buy RefChem:1058469?
You can request a quote for RefChem:1058469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058469?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.