TL;DR: Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride (CAS 143760-31-0) is a chemical compound with molecular formula C32H41Cl2F2N3O3 and molecular weight 623.2493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylcarbamate;dihydrochloride
Also Known As: Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride, Ethyl (3-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-2-hydroxypropyl)(phenyl)carbamate--hydrogen chloride (1/2), Ethyl (3-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-2-hydroxypropyl)phenylcarbamate--hydrogen chloride (1/2), ethyl N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylcarbamate dihydrochloride
| Molecular Formula | C32H41Cl2F2N3O3 |
| Molecular Weight | 623.2493 g/mol |
| XLogP | 6.3621 |
| Topological Polar Surface Area (TPSA) | 56.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 623.2493 Da |
| Heavy Atoms | 42 |
| Complexity | 694.0 |
| SMILES | CCOC(=O)N(CC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | RKLBXVVGLJZLSL-UHFFFAOYSA-N |
The XLogP value of 6.3621 indicates that Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride is 143760-31-0.
The molecular formula of Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride is C32H41Cl2F2N3O3.
The molecular weight of Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester, dihydrochloride is 623.2493 g/mol.
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