TL;DR: Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester (CAS 116943-60-3) is a chemical compound with molecular formula C7H13BrCl2N2O4S and molecular weight 369.91565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromoethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
Also Known As: 2-Bromoethyl ((bis(2-chloroethyl)amino)sulfonyl)carbamate, Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester, N-(Bromo-2 ethoxycarbonyl) N'-bis(chloro-2 ethyl) sulfamide, N-(Bromo-2 ethoxycarbonyl) N'-bis(chloro-2 ethyl) sulfamide [French], 2-Bromoethyl [bis(2-chloroethyl)sulfamoyl]carbamate
| Molecular Formula | C7H13BrCl2N2O4S |
| Molecular Weight | 369.91565 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.91565 Da |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
| SMILES | C(CCl)N(CCCl)S(=O)(=O)NC(=O)OCCBr |
| InChIKey | JEJOBLUCIOLMBR-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester. Following Lipinski's Rule of Five, Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester 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 Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester is 116943-60-3.
The molecular formula of Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester is C7H13BrCl2N2O4S.
The molecular weight of Carbamic acid, ((bis(2-chloroethyl)amino)sulfonyl)-, 2-bromoethyl ester is 369.91565 g/mol.
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