TL;DR: BI-RG-587 analog (CAS 133626-88-7) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-propanoyl-6-prop-2-enylpyrido[3,2-c][1,5]benzodiazepin-5-one
Also Known As: BI-RG-587 analog, N11-Ethylcarbonyl-N6-(2-propenyl)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one, 11-propanoyl-6-prop-2-enylpyrido[3,2-c][1,5]benzodiazepin-5-one, N11-Ethylcarbonyl-N6-(2-propenyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one, 6-allyl-11-propanoyl-pyrido[3,2-c][1,5]benzodiazepin-5-one
| Molecular Formula | C18H17N3O2 |
| Molecular Weight | 307.13208 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.13208 Da |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
| SMILES | CCC(=O)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)CC=C |
| InChIKey | FIEYWLUOTCEPCN-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BI-RG-587 analog. With a topological polar surface area (TPSA) of 53.5 Ų, BI-RG-587 analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BI-RG-587 analog has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BI-RG-587 analog is 133626-88-7.
The molecular formula of BI-RG-587 analog is C18H17N3O2.
The molecular weight of BI-RG-587 analog is 307.13208 g/mol.
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