TL;DR: N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one (CAS 133627-23-3) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.09604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),5,12,14-pentaene-7,10-dione
Also Known As: BI-RG-587 analog, N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-4-hydroxy-5H-dipyrido[[?],[?]][1,4]diazepin-6-one, 11-ethyl-1,5-dihydrodipyrido[2,3-b:2',3'-f][1,4]diazepine-4,6-dione
| Molecular Formula | C13H12N4O2 |
| Molecular Weight | 256.09604 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.09604 Da |
| Heavy Atoms | 19 |
| Complexity | 483.0 |
| SMILES | CCN1C2=C(C(=O)C=CN2)NC(=O)C3=C1N=CC=C3 |
| InChIKey | RXVDMYVTIXBBQR-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one. Following Lipinski's Rule of Five, N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one is 133627-23-3.
The molecular formula of N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one is C13H12N4O2.
The molecular weight of N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one is 256.09604 g/mol.
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