Einecs 268-511-3
TL;DR: Einecs 268-511-3 (CAS 68110-21-4) is a chemical compound with molecular formula C13H19Cl3N6Zn and molecular weight 428.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc;N,N-diethyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline;hydron;trichloride
Also Known As: Hydrogen trichlorozincate(1-), compound with N,N-diethyl-4-((1-methyl-1H-1,2,4-triazol-5-yl)azo)aniline (1:1), zinc; N,N-diethyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline; hydron; trichloride, Hydrogen trichlorozincate(1-), compound with N,N-diethyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]aniline (1:1), zinc hydrogen chloride- n,n-diethyl-4-[(e)-(1-methyl-1h-1,2,4-triazol-5-yl)diazenyl]aniline(1:1:3:1), Zincate(1-), trichloro-, hydrogen, compd. with N,N-diethyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]benzenamine (1:1)
| Molecular Formula | C13H19Cl3N6Zn |
|---|---|
| Molecular Weight | 428.00 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0028 |
| Heavy Atoms | 23 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 68110-21-4 |
|---|---|
| SMILES | [H+].CCN(CC)C1=CC=C(C=C1)N=NC2=NC=NN2C.[Cl-].[Cl-].[Cl-].[Zn+2] |
| InChIKey | ZHNBWIBPUFDSEB-UHFFFAOYSA-L |
Product Overview
Einecs 268-511-3 (CAS 68110-21-4), with molecular formula C13H19Cl3N6Zn and molecular weight 428.00 g/mol. IUPAC: zinc;N,N-diethyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline;hydron;trichloride.
Chemical Property Profile of Einecs 268-511-3
Property Insights of Einecs 268-511-3
The XLogP value of -5.8 indicates that Einecs 268-511-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.7 Ų, Einecs 268-511-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 268-511-3 has 1 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 Einecs 268-511-3?
The CAS number of Einecs 268-511-3 is 68110-21-4.
What is the molecular formula of Einecs 268-511-3?
The molecular formula of Einecs 268-511-3 is C13H19Cl3N6Zn.
What is the molecular weight of Einecs 268-511-3?
The molecular weight of Einecs 268-511-3 is 428.00 g/mol.
Where can I buy Einecs 268-511-3?
You can request a quote for Einecs 268-511-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 268-511-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 268-511-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.