RefChem:1058470
TL;DR: RefChem:1058470 (CAS 69959-26-8) is a chemical compound with molecular formula C28H29N7O6 and molecular weight 559.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-trimethylazanium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Also Known As: 1H-Pyrazol-4-aminium, 2,3-dihydro-3-oxo-N,N,N,1,5-pentamethyl-2-phenyl-, salt with 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione (1:1), RefChem:1058470
| Molecular Formula | C28H29N7O6 |
|---|---|
| Molecular Weight | 559.22 g/mol |
| LogP | 3.06422 |
| Topological Polar Surface Area | 151.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.21796 |
| Heavy Atoms | 41 |
| Complexity | 1690.2526 |
Chemical Identifiers
| CAS Number | 69959-26-8 |
|---|---|
| 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)[N+](=O)[O-])[O-] |
Product Overview
RefChem:1058470 (CAS 69959-26-8), with molecular formula C28H29N7O6 and molecular weight 559.22 g/mol. IUPAC: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-trimethylazanium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate.
Chemical Property Profile of RefChem:1058470
Property Insights of RefChem:1058470
The XLogP value of 3.06422 indicates that RefChem:1058470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.3 Ų indicates high polarity, suggesting RefChem:1058470 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058470 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058470?
The CAS number of RefChem:1058470 is 69959-26-8.
What is the molecular formula of RefChem:1058470?
The molecular formula of RefChem:1058470 is C28H29N7O6.
What is the molecular weight of RefChem:1058470?
The molecular weight of RefChem:1058470 is 559.22 g/mol.
Where can I buy RefChem:1058470?
You can request a quote for RefChem:1058470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.