RefChem:1055119
TL;DR: RefChem:1055119 (CAS 51037-67-3) is a chemical compound with molecular formula C23H30Cl2FN3O3 and molecular weight 485.16483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] N,N-dimethylcarbamate;dihydrochloride
Also Known As: 1-Butanone, 2-((dimethylcarbamoyl)oxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride, 1-(4-Fluorophenyl)-2-((dimethylcarbamoyl)oxy)-4-(4-phenyl-1-piperazinyl)-1-butanone 2HCl, Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-phenyl-1-piperazinyl)-, dimethylcarbamate, Carbamic acid, dimethyl-, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester 2HCl, [1-(4-Fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl]n,N-dimethylcarbamate dihydrochloride
Technical Specifications
| Molecular Formula | C23H30Cl2FN3O3 |
| Molecular Weight | 485.16483 g/mol |
| XLogP | 4.13 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.16483 Da |
| Heavy Atoms | 32 |
| Complexity | 552.0 |
| SMILES | CN(C)C(=O)OC(CCN1CCN(CC1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.Cl.Cl |
| InChIKey | HWRSSPONGIPXSW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1055119
Property Insights of RefChem:1055119
The XLogP value of 4.13 indicates that RefChem:1055119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:1055119 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055119 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1055119?
The CAS number of RefChem:1055119 is 51037-67-3.
What is the molecular formula of RefChem:1055119?
The molecular formula of RefChem:1055119 is C23H30Cl2FN3O3.
What is the molecular weight of RefChem:1055119?
The molecular weight of RefChem:1055119 is 485.16483 g/mol.
Where can I buy RefChem:1055119?
You can request a quote for RefChem:1055119 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1055119?
Yes, CoreyChem provides custom synthesis services for RefChem:1055119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.