![11-chloro-2-(2-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione structure](/static/products/5696/56969-35-8.webp)
11-chloro-2-(2-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
TL;DR: 11-chloro-2-(2-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione (CAS 56969-35-8) is a chemical compound with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-chloro-2-[2-(dimethylamino)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-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione, 11-Chloro-2-[2-(dimethylamino)ethyl]-8-methyl-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine- 3,4,7(6H)-trione
| Molecular Formula | C16H18ClN5O3 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1098 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 56969-35-8 |
|---|---|
| SMILES | CN1C(=O)CN2C(=NN(C(=O)C2=O)CCN(C)C)C3=C1C=CC(=C3)Cl |
| InChIKey | WCZULBNPGCGIBS-UHFFFAOYSA-N |
Product Overview
11-chloro-2-(2-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione (CAS 56969-35-8), with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol. IUPAC: 11-chloro-2-[2-(dimethylamino)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-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
Property Insights of 11-chloro-2-(2-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-chloro-2-(2-dimethylaminoethyl)-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-dimethylaminoethyl)-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-dimethylaminoethyl)-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-dimethylaminoethyl)-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-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione is 56969-35-8.
What is the molecular formula of 11-chloro-2-(2-dimethylaminoethyl)-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-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione is C16H18ClN5O3.
What is the molecular weight of 11-chloro-2-(2-dimethylaminoethyl)-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-dimethylaminoethyl)-8-methyl-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione is 363.11 g/mol.
Where can I buy 11-chloro-2-(2-dimethylaminoethyl)-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-dimethylaminoethyl)-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-dimethylaminoethyl)-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-dimethylaminoethyl)-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.