TL;DR: Benzamide, N-butyl-4,5-dimethoxy-2-nitro- (CAS 113283-05-9) is a chemical compound with molecular formula C13H18N2O5 and molecular weight 282.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-4,5-dimethoxy-2-nitrobenzamide
Also Known As: N-butyl-4,5-dimethoxy-2-nitrobenzamide, Benzamide, N-butyl-4,5-dimethoxy-2-nitro-, N-butyl-3,4-dimethoxy-6-nitrobenzamide, N-butyl-4,5-dimethoxy-2-nitro-benzamide
| Molecular Formula | C13H18N2O5 |
| Molecular Weight | 282.12158 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.12158 Da |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| SMILES | CCCCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
| InChIKey | JVUJKGAQEORPQL-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-butyl-4,5-dimethoxy-2-nitro-. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-butyl-4,5-dimethoxy-2-nitro-. Following Lipinski's Rule of Five, Benzamide, N-butyl-4,5-dimethoxy-2-nitro- has 1 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 Benzamide, N-butyl-4,5-dimethoxy-2-nitro- is 113283-05-9.
The molecular formula of Benzamide, N-butyl-4,5-dimethoxy-2-nitro- is C13H18N2O5.
The molecular weight of Benzamide, N-butyl-4,5-dimethoxy-2-nitro- is 282.12158 g/mol.
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