TL;DR: BI-RG-587 analog (CAS 133627-10-8) is a chemical compound with molecular formula C14H14N4OS and molecular weight 286.08884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-2-(methylsulfanylmethyl)-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, Dipyridodiazepinone deriv. 87, N5-Methyl-N11-(methylthio)methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 5-methyl-11-(methylsulfanylmethyl)dipyrido[[?],[?]][1,4]diazepin-6-one, 5,11-Dihydro-5-methyl-11-methylthiomethyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one
| Molecular Formula | C14H14N4OS |
| Molecular Weight | 286.08884 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.08884 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | CN1C2=C(N=CC=C2)N(C3=C(C1=O)C=CC=N3)CSC |
| InChIKey | CCPGFAZDSIYHBB-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BI-RG-587 analog. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BI-RG-587 analog. Following Lipinski's Rule of Five, BI-RG-587 analog has 0 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 BI-RG-587 analog is 133627-10-8.
The molecular formula of BI-RG-587 analog is C14H14N4OS.
The molecular weight of BI-RG-587 analog is 286.08884 g/mol.
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