TL;DR: RefChem:332508 (CAS 116943-76-1) is a chemical compound with molecular formula C14H23ClN2O4S and molecular weight 350.10672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-(1-adamantylsulfamoylmethyl)carbamate
Also Known As: 2-chloroethyl N-(1-adamantylsulfamoylmethyl)carbamate, 2-Chloroethyl methyl((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)carbamate, Carbamic acid, methyl((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)-, 2-chloroethyl ester, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-(adamantyle) sulfamide, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-(adamantyle) sulfamide [French]
| Molecular Formula | C14H23ClN2O4S |
| Molecular Weight | 350.10672 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.10672 Da |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)CNC(=O)OCCCl |
| InChIKey | XWBDOMKCUBLPCT-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332508. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332508. Following Lipinski's Rule of Five, RefChem:332508 has 2 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 RefChem:332508 is 116943-76-1.
The molecular formula of RefChem:332508 is C14H23ClN2O4S.
The molecular weight of RefChem:332508 is 350.10672 g/mol.
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