RefChem:79826
TL;DR: RefChem:79826 (CAS 84787-99-5) is a chemical compound with molecular formula C16H25N5O6S and molecular weight 415.15 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]-2,5-dimethoxy-N,N-dimethylaniline;methyl sulfate
Also Known As: 1H-Imidazolium, 2-((4-(dimethylamino)-2,5-dimethoxyphenyl)azo)-1,3-dimethyl-, methyl sulfate, Imidazolium, 1,3-dimethyl-2-(((2,5-dimethoxy-4-dimethylamino)phenyl)azo)-, methyl sulfate, 1H-Imidazolium, 2-(2-(4-(dimethylamino)-2,5-dimethoxyphenyl)diazenyl)-1,3-dimethyl-, methyl sulfate (1:1), 1H-Imidazolium, 2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]azo]-1,3-dimethyl-, methyl sulfate, 2-((4-(Dimethylamino)-2,5-dimethoxyphenyl)azo)-1,3-dimethyl-1H-imidazolium methyl sulphate
| Molecular Formula | C16H25N5O6S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 1.4412 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.15256 |
| Heavy Atoms | 28 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 84787-99-5 |
|---|---|
| SMILES | CN1C=C[N+](=C1N=NC2=CC(=C(C=C2OC)N(C)C)OC)C.COS(=O)(=O)[O-] |
| InChIKey | XYVVRMYGLMMXNJ-UHFFFAOYSA-M |
Product Overview
RefChem:79826 (CAS 84787-99-5), with molecular formula C16H25N5O6S and molecular weight 415.15 g/mol. IUPAC: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxy-N,N-dimethylaniline;methyl sulfate.
Chemical Property Profile of RefChem:79826
Property Insights of RefChem:79826
The XLogP value of 1.4412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79826. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79826. Following Lipinski's Rule of Five, RefChem:79826 has 0 hydrogen bond donor(s) and 9 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:79826?
The CAS number of RefChem:79826 is 84787-99-5.
What is the molecular formula of RefChem:79826?
The molecular formula of RefChem:79826 is C16H25N5O6S.
What is the molecular weight of RefChem:79826?
The molecular weight of RefChem:79826 is 415.15 g/mol.
Where can I buy RefChem:79826?
You can request a quote for RefChem:79826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.