RefChem:438190
TL;DR: RefChem:438190 (CAS 40889-91-6) is a chemical compound with molecular formula C20H25ClN7O4S- and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-4-yl)diazenyl]-N-ethylanilino]propanenitrile;methyl sulfate
Also Known As: 1H-Benzotriazolium, 6-chloro-4-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,3-dimethyl-, methyl sulfate, 1H-Benzotriazolium, 6-chloro-4-(2-(4-((2-cyanoethyl)ethylamino)phenyl)diazenyl)-1,3-dimethyl-, methyl sulfate (1:1), 3-[[4-[(6-chloro-1,3-dimethyl-2h-benzotriazol-4-yl)azo]phenyl]-ethyl-amino]propanenitrile; methyl sulfate, 5-Chloro-7-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,3-dimethyl-1H-benzotriazolium, methyl sulfate, 1H-Benzotriazolium, 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-, methyl sulfate
| Molecular Formula | C20H25ClN7O4S- |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 3.89398 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.13773 |
| Heavy Atoms | 33 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 40889-91-6 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C3C(=CC(=C2)Cl)N(NN3C)C.COS(=O)(=O)[O-] |
| InChIKey | ZWYBMYDAKNKDJC-UHFFFAOYSA-M |
Product Overview
RefChem:438190 (CAS 40889-91-6), with molecular formula C20H25ClN7O4S- and molecular weight 494.14 g/mol. IUPAC: 3-[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-4-yl)diazenyl]-N-ethylanilino]propanenitrile;methyl sulfate.
Chemical Property Profile of RefChem:438190
Property Insights of RefChem:438190
The XLogP value of 3.89398 indicates that RefChem:438190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:438190 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:438190 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:438190?
The CAS number of RefChem:438190 is 40889-91-6.
What is the molecular formula of RefChem:438190?
The molecular formula of RefChem:438190 is C20H25ClN7O4S-.
What is the molecular weight of RefChem:438190?
The molecular weight of RefChem:438190 is 494.14 g/mol.
Where can I buy RefChem:438190?
You can request a quote for RefChem:438190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438190?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.