TL;DR: SR 44541 A (CAS 119607-21-5) is a chemical compound with molecular formula C34H36Cl3NO3 and molecular weight 611.1761 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] 2-(2,4-dichlorophenoxy)acetate;hydrochloride
Also Known As: SR 44541 A, 4-(4-Benzylpiperidino)-2-(naphth-1-yl)butyl 2,4-dichlorophenoxyacetate hydrochloride, Acetic acid, (2,4-dichlorophenoxy)-, 2-(1-naphthalenyl)-4-(4-(phenylmethyl)-1-piperidinyl)butyl ester, hydrochloride, [4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] 2-(2,4-dichlorophenoxy)acetate hydrochloride, 4-(4-Benzylpiperidin-1-yl)-2-(naphthalen-1-yl)butyl (2,4-dichlorophenoxy)acetate--hydrogen chloride (1/1)
| Molecular Formula | C34H36Cl3NO3 |
| Molecular Weight | 611.1761 g/mol |
| XLogP | 8.619 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 611.1761 Da |
| Heavy Atoms | 41 |
| Complexity | 753.0 |
| SMILES | C1CN(CCC1CC2=CC=CC=C2)CCC(COC(=O)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54.Cl |
| InChIKey | OERWPTBOGKXIDF-UHFFFAOYSA-N |
The XLogP value of 8.619 indicates that SR 44541 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 44541 A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SR 44541 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 44541 A is 119607-21-5.
The molecular formula of SR 44541 A is C34H36Cl3NO3.
The molecular weight of SR 44541 A is 611.1761 g/mol.
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