![11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione structure](/static/products/5696/56969-39-2.webp)
11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione
TL;DR: 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione (CAS 56969-39-2) is a chemical compound with molecular formula C18H20ClN5O4 and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-chloro-8-methyl-2-(2-morpholin-4-ylethyl)-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
Also Known As: 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione, 11-chloro-8-methyl-2-(2-morpholin-4-ylethyl)-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione, 11-chloro-8-methyl-2-(2-morpholinoethyl)-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione
| Molecular Formula | C18H20ClN5O4 |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.1204 |
| Heavy Atoms | 28 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 56969-39-2 |
|---|---|
| SMILES | CN1C(=O)CN2C(=NN(C(=O)C2=O)CCN3CCOCC3)C4=C1C=CC(=C4)Cl |
| InChIKey | XVSGFCRCFXWMRY-UHFFFAOYSA-N |
Product Overview
11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione (CAS 56969-39-2), with molecular formula C18H20ClN5O4 and molecular weight 405.12 g/mol. IUPAC: 11-chloro-8-methyl-2-(2-morpholin-4-ylethyl)-6H-[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7-trione.
Chemical Property Profile of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione
Property Insights of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione. Following Lipinski's Rule of Five, 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione has 0 hydrogen bond donor(s) and 6 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-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione?
The CAS number of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione is 56969-39-2.
What is the molecular formula of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione?
The molecular formula of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione is C18H20ClN5O4.
What is the molecular weight of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione?
The molecular weight of 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione is 405.12 g/mol.
Where can I buy 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione?
You can request a quote for 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-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-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 11-Chloro-8-methyl-2-(2-morpholin-4-ylethyl)-2,8-dihydro[1,2,4]triazino[4,3-d][1,4]benzodiazepine-3,4,7(6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.