TL;DR: 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one (CAS 119707-39-0) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethyl-2-methyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one
Also Known As: 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-6-ethyl-2-methyl-7-nitro-, 6-ethyl-2-methyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one, 6-Ethyl-2-methyl-7-nitro-6,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(5aH)-one
| Molecular Formula | C19H17N3O4 |
| Molecular Weight | 351.12192 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.12192 Da |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
| SMILES | CCN1C2C(=CNC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)C4=C(O2)C=CC(=C4)C |
| InChIKey | LKVMSAZBTANVJZ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one. Following Lipinski's Rule of Five, 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one is 119707-39-0.
The molecular formula of 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one is C19H17N3O4.
The molecular weight of 6,11-Dihydro-6-ethyl-2-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one is 351.12192 g/mol.
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