RefChem:1064217
TL;DR: RefChem:1064217 (CAS 69959-30-4) is a chemical compound with molecular formula C21H27N5O6 and molecular weight 445.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-hydroxy-2-methylpropan-2-yl)-trimethylazanium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Also Known As: 2-Propanaminium, 1-hydroxy-N,N,N,2-tetramethyl-, salt with 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione (1:1), RefChem:1064217
| Molecular Formula | C21H27N5O6 |
|---|---|
| Molecular Weight | 445.20 g/mol |
| LogP | 1.8466 |
| Topological Polar Surface Area | 144.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.19614 |
| Heavy Atoms | 32 |
| Complexity | 1018.0464 |
Chemical Identifiers
| CAS Number | 69959-30-4 |
|---|---|
| SMILES | CC(C)(CO)[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:1064217 (CAS 69959-30-4), with molecular formula C21H27N5O6 and molecular weight 445.20 g/mol. IUPAC: (1-hydroxy-2-methylpropan-2-yl)-trimethylazanium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate.
Chemical Property Profile of RefChem:1064217
Property Insights of RefChem:1064217
The XLogP value of 1.8466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064217. The TPSA of 144.6 Ų indicates high polarity, suggesting RefChem:1064217 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064217 has 1 hydrogen bond donor(s) and 7 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:1064217?
The CAS number of RefChem:1064217 is 69959-30-4.
What is the molecular formula of RefChem:1064217?
The molecular formula of RefChem:1064217 is C21H27N5O6.
What is the molecular weight of RefChem:1064217?
The molecular weight of RefChem:1064217 is 445.20 g/mol.
Where can I buy RefChem:1064217?
You can request a quote for RefChem:1064217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064217?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.