TL;DR: 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one (CAS 1400276-20-1) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.1161 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.1161 Da |
| Heavy Atoms | 20 |
| Complexity | 460.0 |
| SMILES | CC=C1CC2C=NC3=CC(=C(C=C3C(=O)N2C1)OC)O |
| InChIKey | MQCBKXNWUKLOOH-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one. Following Lipinski's Rule of Five, 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-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 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one is 1400276-20-1.
The molecular formula of 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one is C15H16N2O3.
The molecular weight of 8-ethylidene-3-hydroxy-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one is 272.1161 g/mol.
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