TL;DR: N11-Butyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (CAS 133627-05-1) is a chemical compound with molecular formula C15H16N4O and molecular weight 268.13242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Also Known As: BI-RG-587 analog, N11-Butyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-butyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one, N11-Butyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-Butyl-11H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-ol
| Molecular Formula | C15H16N4O |
| Molecular Weight | 268.13242 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.13242 Da |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
| SMILES | CCCCN1C2=C(C=CC=N2)C(=O)NC3=C1N=CC=C3 |
| InChIKey | GMIZADBOCVRYPL-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N11-Butyl-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, N11-Butyl-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, N11-Butyl-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 N11-Butyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is 133627-05-1.
The molecular formula of N11-Butyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is C15H16N4O.
The molecular weight of N11-Butyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is 268.13242 g/mol.
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