1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride
TL;DR: 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride (CAS 32526-79-7) is a chemical compound with molecular formula C17H24ClFN2O3 and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride, 1-(3-(4-Fluorobenzoyl)propyl)-4-(ethoxycarbonyl)piperazine hydrochloride, 1-Piperazinecarboxylic acid, 4-(4'-fluoro-butyrophenon-1-yl)-, ethyl ester, hydrochloride, 4-(4'-Fluoro-butyrophenon-1-yl)-1-piperazinecarboxylic acid ethyl ester hydrochloride, 4-(4-(4-Fluorophenyl)-4-oxobutyl)-1-piperazinecarboxylic acid ethyl ester hydrochloride
| Molecular Formula | C17H24ClFN2O3 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.9845 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.14594 |
| Heavy Atoms | 24 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 32526-79-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.Cl |
| InChIKey | GDJAQJMACITLMM-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride (CAS 32526-79-7), with molecular formula C17H24ClFN2O3 and molecular weight 358.15 g/mol. IUPAC: ethyl 4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride
Property Insights of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride
The XLogP value of 2.9845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride. With a topological polar surface area (TPSA) of 49.9 Ų, 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride?
The CAS number of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride is 32526-79-7.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride is C17H24ClFN2O3.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride is 358.15 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.