RefChem:79827
TL;DR: RefChem:79827 (CAS 63589-33-3) is a chemical compound with molecular formula C14H21N5O4S and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate
Also Known As: 1H-Imidazolium, 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-, methyl sulfate, 1H-Imidazolium, 2-((4-(dimethylamino)phenyl)azo)-1,3-dimethyl-, methyl sulfate, 2-((4-(Dimethylamino)phenyl)azo)-1,3-dimethyl-1H-imidazolium methyl sulphate, 2-[[4- phenyl]azo]-1,3-dimethyl-1H-imidazoliummethylsulphate, 1H-Imidazolium, 2-(2-(4-(dimethylamino)phenyl)diazenyl)-1,3-dimethyl-, methyl sulfate (1:1)
| Molecular Formula | C14H21N5O4S |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.13144 |
| Heavy Atoms | 24 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 63589-33-3 |
|---|---|
| SMILES | CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.COS(=O)(=O)[O-] |
| InChIKey | QWSGBKHMZDKFND-UHFFFAOYSA-M |
Product Overview
RefChem:79827 (CAS 63589-33-3), with molecular formula C14H21N5O4S and molecular weight 355.13 g/mol. IUPAC: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate.
Chemical Property Profile of RefChem:79827
Property Insights of RefChem:79827
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79827. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79827. Following Lipinski's Rule of Five, RefChem:79827 has 0 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:79827?
The CAS number of RefChem:79827 is 63589-33-3.
What is the molecular formula of RefChem:79827?
The molecular formula of RefChem:79827 is C14H21N5O4S.
What is the molecular weight of RefChem:79827?
The molecular weight of RefChem:79827 is 355.13 g/mol.
Where can I buy RefChem:79827?
You can request a quote for RefChem:79827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79827?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.