TL;DR: D792 amidosulfonate (CAS 112704-11-7) is a chemical compound with molecular formula C25H35Cl2N3O5S and molecular weight 559.1674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile;sulfamic acid
Also Known As: D792 amidosulfonate, Benzeneacetonitrile, alpha-(3-((2-(3,4-dichlorophenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)-, monosulfamate, 5-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile; sulfamic acid, Sulfamic acid--5-{[2-(3,4-dichlorophenyl)ethyl](methyl)amino}-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile (1/1)
| Molecular Formula | C25H35Cl2N3O5S |
| Molecular Weight | 559.1674 g/mol |
| XLogP | 5.13058 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 559.1674 Da |
| Heavy Atoms | 36 |
| Complexity | 674.0 |
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)Cl)Cl)(C#N)C2=CC(=C(C=C2)OC)OC.NS(=O)(=O)O |
| InChIKey | JKBPIEFDTNVSAF-UHFFFAOYSA-N |
The XLogP value of 5.13058 indicates that D792 amidosulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D792 amidosulfonate. Following Lipinski's Rule of Five, D792 amidosulfonate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of D792 amidosulfonate is 112704-11-7.
The molecular formula of D792 amidosulfonate is C25H35Cl2N3O5S.
The molecular weight of D792 amidosulfonate is 559.1674 g/mol.
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