TL;DR: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro- (CAS 115396-46-8) is a chemical compound with molecular formula C18H12ClN3O4 and molecular weight 369.05164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-6-ethyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Also Known As: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro-, 2-Chloro-6-ethyl-9-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one, 2-Chloro-6-ethyl-9-nitro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
| Molecular Formula | C18H12ClN3O4 |
| Molecular Weight | 369.05164 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.05164 Da |
| Heavy Atoms | 26 |
| Complexity | 674.0 |
| SMILES | CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=CC3=C1OC4=C(C3=O)C=C(C=C4)Cl |
| InChIKey | CVPIUCDKUSMUQW-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro-. Following Lipinski's Rule of Five, (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro- has 0 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 (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro- is 115396-46-8.
The molecular formula of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro- is C18H12ClN3O4.
The molecular weight of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-6-ethyl-9-nitro- is 369.05164 g/mol.
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