![11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione structure](/static/products/5696/56969-37-0.webp)
11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
TL;DR: 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione (CAS 56969-37-0) is a chemical compound with molecular formula C18H22ClN5O3 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-chloro-2-[2-(diethylamino)ethyl]-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
Also Known As: 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione, 11-Chloro-2-[2-(diethylamino)ethyl]-8-methyl-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione
| Molecular Formula | C18H22ClN5O3 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1411 |
| Heavy Atoms | 27 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 56969-37-0 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C(=O)N2CC(=O)N(C3=C(C2=N1)C=C(C=C3)Cl)C |
| InChIKey | BMOKHIPTIFCLPZ-UHFFFAOYSA-N |
Product Overview
11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione (CAS 56969-37-0), with molecular formula C18H22ClN5O3 and molecular weight 391.14 g/mol. IUPAC: 11-chloro-2-[2-(diethylamino)ethyl]-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione.
Chemical Property Profile of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
Property Insights of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione. Following Lipinski's Rule of Five, 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione 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 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione?
The CAS number of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione is 56969-37-0.
What is the molecular formula of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione?
The molecular formula of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione is C18H22ClN5O3.
What is the molecular weight of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione?
The molecular weight of 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione is 391.14 g/mol.
Where can I buy 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione?
You can request a quote for 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione?
Yes, KEHONG BIO provides custom synthesis services for 11-chloro-2-(2-diethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.