Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-
TL;DR: Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- (CAS 85677-83-4) is a chemical compound with molecular formula C21H21Cl2N5S and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine
Also Known As: Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-, AE-641/30154011, 2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine, 2-({[8-Chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl}sulfanyl)-N,N-dimethylethan-1-amine, N-[2-({[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl}sulfanyl)ethyl]-N,N-dimethylamine
| Molecular Formula | C21H21Cl2N5S |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 4.7199 |
| Topological Polar Surface Area | 46.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.08948 |
| Heavy Atoms | 29 |
| Complexity | 1060.9751 |
Chemical Identifiers
| CAS Number | 85677-83-4 |
|---|---|
| SMILES | CN(C)CCSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- (CAS 85677-83-4), with molecular formula C21H21Cl2N5S and molecular weight 445.09 g/mol. IUPAC: 2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine.
Chemical Property Profile of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-
Property Insights of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-
The XLogP value of 4.7199 indicates that Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.31 Ų, Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- has 0 hydrogen bond donor(s) and 5 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 Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-?
The CAS number of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- is 85677-83-4.
What is the molecular formula of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-?
The molecular formula of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- is C21H21Cl2N5S.
What is the molecular weight of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-?
The molecular weight of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- is 445.09 g/mol.
Where can I buy Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-?
You can request a quote for Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.