TL;DR: SR 44540 A (CAS 119585-18-1) is a chemical compound with molecular formula C25H26Cl3NO3 and molecular weight 493.09784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] naphthalene-1-carboxylate;hydrochloride
Also Known As: SR 44540 A, 1-Naphthalenecarboxylic acid, 2-(2,4-dichlorophenyl)-4-(4-morpholinyl)butyl ester, hydrochloride, 2-(2,4-Dichlorophenyl)-4-(morpholin-4-yl)butyl naphthalene-1-carboxylate--hydrogen chloride (1/1), [2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] naphthalene-1-carboxylate hydrochloride
| Molecular Formula | C25H26Cl3NO3 |
| Molecular Weight | 493.09784 g/mol |
| XLogP | 6.2313 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.09784 Da |
| Heavy Atoms | 32 |
| Complexity | 571.0 |
| SMILES | C1COCCN1CCC(COC(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl.Cl |
| InChIKey | GQECROJAFHTUGH-UHFFFAOYSA-N |
The XLogP value of 6.2313 indicates that SR 44540 A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, SR 44540 A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SR 44540 A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of SR 44540 A is 119585-18-1.
The molecular formula of SR 44540 A is C25H26Cl3NO3.
The molecular weight of SR 44540 A is 493.09784 g/mol.
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