TL;DR: Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 141312-23-4) is a chemical compound with molecular formula C25H45Cl2N3O3 and molecular weight 505.28378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-pentylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate;dihydrochloride
Also Known As: Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride, 2-(4-Pentyl-1-piperazinyl)ethyl (2-(heptyloxy)phenyl)carbamate dihydrochloride, 2-(4-Pentylpiperazin-1-yl)ethyl [2-(heptyloxy)phenyl]carbamate--hydrogen chloride (1/2), 2-(4-pentylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride
| Molecular Formula | C25H45Cl2N3O3 |
| Molecular Weight | 505.28378 g/mol |
| XLogP | 6.2357 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 505.28378 Da |
| Heavy Atoms | 33 |
| Complexity | 455.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)CCCCC.Cl.Cl |
| InChIKey | XHNSXILOYGTYBA-UHFFFAOYSA-N |
The XLogP value of 6.2357 indicates that Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride is 141312-23-4.
The molecular formula of Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride is C25H45Cl2N3O3.
The molecular weight of Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-pentyl-1-piperazinyl)ethyl ester, dihydrochloride is 505.28378 g/mol.
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