TL;DR: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- (CAS 153901-58-7) is a chemical compound with molecular formula C26H22ClN5O and molecular weight 455.15128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(8-chloro-1,6-diphenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
Also Known As: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)-, 8-Chloro-1,6-diphenyl-5-(4-morpholinyl)-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 1,6-Diphenyl-5-morpholino-8-chloro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 4-(8-chloro-1,6-diphenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine, 8-Chloro-5-(morpholin-4-yl)-1,6-diphenyl-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
| Molecular Formula | C26H22ClN5O |
| Molecular Weight | 455.15128 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.15128 Da |
| Heavy Atoms | 33 |
| Complexity | 688.0 |
| SMILES | C1COCCN1C2=CC3=NN=C(N3C4=C(N2C5=CC=CC=C5)C=C(C=C4)Cl)C6=CC=CC=C6 |
| InChIKey | PLYYLRPGKRBIJX-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- is 153901-58-7.
The molecular formula of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- is C26H22ClN5O.
The molecular weight of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1,6-diphenyl-5-(4-morpholinyl)- is 455.15128 g/mol.
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