Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-
TL;DR: Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl- (CAS 153901-47-4) is a chemical compound with molecular formula C20H20ClN5S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethanamine
Also Known As: Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-, [2-({12-chloro-9-phenyl-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,7,10,12-hexaen-8-yl}sulfanyl)ethyl]dimethylamine, 2-[(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethanamine, 2-[(8-Chloro-6-phenyl-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethan-1-amine, 5-[[2-(Dimethylamino)ethyl]thio]-6-phenyl-8-chloro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
| Molecular Formula | C20H20ClN5S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 4.6656 |
| Topological Polar Surface Area | 37.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1128 |
| Heavy Atoms | 27 |
| Complexity | 967.51324 |
Chemical Identifiers
| CAS Number | 153901-47-4 |
|---|---|
| SMILES | CN(C)CCSC1=CC2=NN=CN2C3=C(N1C4=CC=CC=C4)C=C(C=C3)Cl |
Product Overview
Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl- (CAS 153901-47-4), with molecular formula C20H20ClN5S and molecular weight 397.11 g/mol. IUPAC: 2-[(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethanamine.
Chemical Property Profile of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-
Property Insights of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-
The XLogP value of 4.6656 indicates that Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)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 37.19 Ų, Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)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-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)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-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-?
The CAS number of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl- is 153901-47-4.
What is the molecular formula of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-?
The molecular formula of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl- is C20H20ClN5S.
What is the molecular weight of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-?
The molecular weight of Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl- is 397.11 g/mol.
Where can I buy Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-?
You can request a quote for Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)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-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, 2-((8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.