RefChem:100659
TL;DR: RefChem:100659 (CAS 68877-61-2) is a chemical compound with molecular formula C20H26N6O4S and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline;methyl sulfate
Also Known As: 1H-1,2,4-Triazolium, 5-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-, methyl sulfate, 1H-1,2,4-Triazolium, 5-((p-(benzylethylamino)phenyl)azo)-1,4-dimethyl-, methylsulfate, 4H-1,2,4-Triazolium, 5-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)-1,4-dimethyl-, methyl sulfate (1:1), 5-[(e)-{4-[benzyl(ethyl)amino]phenyl}diazenyl]-1,4-dimethyl-1h-1,2,4-triazol-4-ium methylsulfate, 5-((4-(Benzylethylamino)phenyl)azo)-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
| Molecular Formula | C20H26N6O4S |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1736 |
| Heavy Atoms | 31 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 68877-61-2 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C=NN3C)C.COS(=O)(=O)[O-] |
| InChIKey | CIUCZJMXGUJIHO-UHFFFAOYSA-M |
Product Overview
RefChem:100659 (CAS 68877-61-2), with molecular formula C20H26N6O4S and molecular weight 446.17 g/mol. IUPAC: N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline;methyl sulfate.
Chemical Property Profile of RefChem:100659
Property Insights of RefChem:100659
The XLogP value of 2.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:100659. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:100659. Following Lipinski's Rule of Five, RefChem:100659 has 0 hydrogen bond donor(s) and 8 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:100659?
The CAS number of RefChem:100659 is 68877-61-2.
What is the molecular formula of RefChem:100659?
The molecular formula of RefChem:100659 is C20H26N6O4S.
What is the molecular weight of RefChem:100659?
The molecular weight of RefChem:100659 is 446.17 g/mol.
Where can I buy RefChem:100659?
You can request a quote for RefChem:100659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:100659?
Yes, KEHONG BIO provides custom synthesis services for RefChem:100659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.