TL;DR: Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy- (CAS 15258-00-1) is a chemical compound with molecular formula C12H16ClNO4 and molecular weight 273.07678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloroethyl)-3,4,5-trimethoxybenzamide
Also Known As: N-(2-Chloroethyl)-3,4,5-trimethoxybenzamide, Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy-, N-(beta-Chloroethyl)-3,4,5-trimethoxybenzamide, Benzamide,N-(2-chloroethyl)-3,4,5-trimethoxy, Benzamide,N-(2-chloroethyl)-3,4,5-trimethoxy-
| Molecular Formula | C12H16ClNO4 |
| Molecular Weight | 273.07678 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.07678 Da |
| Heavy Atoms | 18 |
| Complexity | 250.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NCCCl |
| InChIKey | SVYIGKZLHBKTKU-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy-. With a topological polar surface area (TPSA) of 56.8 Ų, Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy- 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 Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy- is 15258-00-1.
The molecular formula of Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy- is C12H16ClNO4.
The molecular weight of Benzamide, N-(2-chloroethyl)-3,4,5-trimethoxy- is 273.07678 g/mol.
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