TL;DR: 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one (CAS 133627-20-0) is a chemical compound with molecular formula C13H11ClN4O and molecular weight 274.06213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-2-ethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Also Known As: BI-RG-587 analog, Dipyridodiazepinone deriv. 98, 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 4-chloro-11-ethyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one, 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
| Molecular Formula | C13H11ClN4O |
| Molecular Weight | 274.06213 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.06213 Da |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| SMILES | CCN1C2=C(C=CC=N2)C(=O)NC3=C(C=CN=C31)Cl |
| InChIKey | AAWWSWAOXUPEEG-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one. With a topological polar surface area (TPSA) of 58.1 Ų, 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one is 133627-20-0.
The molecular formula of 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one is C13H11ClN4O.
The molecular weight of 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one is 274.06213 g/mol.
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