TL;DR: SR 44428 A (CAS 119585-11-4) is a chemical compound with molecular formula C20H22Cl5NO2 and molecular weight 483.0093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3,4-dichlorophenyl)-5-(dimethylamino)pentyl] 2,4-dichlorobenzoate;hydrochloride
Also Known As: SR 44428 A, Benzoic acid, 2,4-dichloro-, 2-(3,4-dichlorophenyl)-5-(dimethylamino)pentyl ester, hydrochloride, 2-(3,4-Dichlorophenyl)-5-(dimethylamino)pentyl 2,4-dichlorobenzoate--hydrogen chloride (1/1), [2-(3,4-dichlorophenyl)-5-(dimethylamino)pentyl] 2,4-dichlorobenzoate hydrochloride
| Molecular Formula | C20H22Cl5NO2 |
| Molecular Weight | 483.0093 g/mol |
| XLogP | 7.0044 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.0093 Da |
| Heavy Atoms | 28 |
| Complexity | 465.0 |
| SMILES | CN(C)CCCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl.Cl |
| InChIKey | SHABSCWKZNVUHW-UHFFFAOYSA-N |
The XLogP value of 7.0044 indicates that SR 44428 A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, SR 44428 A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SR 44428 A has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of SR 44428 A is 119585-11-4.
The molecular formula of SR 44428 A is C20H22Cl5NO2.
The molecular weight of SR 44428 A is 483.0093 g/mol.
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