TL;DR: Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(2-propenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 141312-25-6) is a chemical compound with molecular formula C23H39Cl2N3O3 and molecular weight 475.23685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-prop-2-enylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate;dihydrochloride
Also Known As: Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(2-propenyl)-1-piperazinyl)ethyl ester, dihydrochloride, 2-(4-Allyl-4-piperazinyl)ethyl (2-(heptyloxy)phenyl)carbamate dihydrochloride, 2-(4-prop-2-enylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride, 2-[4-(Prop-2-en-1-yl)piperazin-1-yl]ethyl [2-(heptyloxy)phenyl]carbamate--hydrogen chloride (1/2)
| Molecular Formula | C23H39Cl2N3O3 |
| Molecular Weight | 475.23685 g/mol |
| XLogP | 5.2315 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 475.23685 Da |
| Heavy Atoms | 31 |
| Complexity | 453.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)CC=C.Cl.Cl |
| InChIKey | PJHZSBPHPKPZRZ-UHFFFAOYSA-N |
The XLogP value of 5.2315 indicates that Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(2-propenyl)-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-(2-propenyl)-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-(2-propenyl)-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-(2-propenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 141312-25-6.
The molecular formula of Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(2-propenyl)-1-piperazinyl)ethyl ester, dihydrochloride is C23H39Cl2N3O3.
The molecular weight of Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(2-propenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 475.23685 g/mol.
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