RefChem:100658
TL;DR: RefChem:100658 (CAS 69121-27-3) is a chemical compound with molecular formula C21H26N6O2 and molecular weight 394.21 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 acetate
Also Known As: 5-((4-(Ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-1H-1,2,4-triazolium acetate, 1H-1,2,4-Triazolium, 5-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-, acetate, 5-[(e)-{4-[benzyl(ethyl)amino]phenyl}diazenyl]-1,4-dimethyl-1h-1,2,4-triazol-4-ium acetate, 4H-1,2,4-Triazolium, 5-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)-1,4-dimethyl-, acetate (1:1), 1H-1,2,4-Triazolium, 5-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-1,4-dimethyl-, acetate
| Molecular Formula | C21H26N6O2 |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 2.44 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.21173 |
| Heavy Atoms | 29 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 69121-27-3 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C=NN3C)C.CC(=O)[O-] |
| InChIKey | SGPRNXWORCCTOU-UHFFFAOYSA-M |
Product Overview
RefChem:100658 (CAS 69121-27-3), with molecular formula C21H26N6O2 and molecular weight 394.21 g/mol. IUPAC: N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline acetate.
Chemical Property Profile of RefChem:100658
Property Insights of RefChem:100658
The XLogP value of 2.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:100658. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:100658. Following Lipinski's Rule of Five, RefChem:100658 has 0 hydrogen bond donor(s) and 6 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:100658?
The CAS number of RefChem:100658 is 69121-27-3.
What is the molecular formula of RefChem:100658?
The molecular formula of RefChem:100658 is C21H26N6O2.
What is the molecular weight of RefChem:100658?
The molecular weight of RefChem:100658 is 394.21 g/mol.
Where can I buy RefChem:100658?
You can request a quote for RefChem:100658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:100658?
Yes, KEHONG BIO provides custom synthesis services for RefChem:100658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.