RefChem:1055120
TL;DR: RefChem:1055120 (CAS 95217-22-4) is a chemical compound with molecular formula C26H29FN2O7 and molecular weight 500.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate
Also Known As: 1-Butanone, 2-(acetyloxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, maleate, 1-(4-Fluorophenyl)-2-(acetyloxy)-4-(4-phenyl-1-piperazinyl)-1-butanone maleate, Acetic acid, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester, maleate, (Z)-but-2-enedioic acid; [1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate, RefChem:1055120
| Molecular Formula | C26H29FN2O7 |
|---|---|
| Molecular Weight | 500.20 g/mol |
| LogP | 2.8642 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.1959 |
| Heavy Atoms | 36 |
| Complexity | 1033.7222 |
Chemical Identifiers
| CAS Number | 95217-22-4 |
|---|---|
| SMILES | CC(=O)OC(CCN1CCN(CC1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1055120 (CAS 95217-22-4), with molecular formula C26H29FN2O7 and molecular weight 500.20 g/mol. IUPAC: (Z)-but-2-enedioic acid;[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate.
Chemical Property Profile of RefChem:1055120
Property Insights of RefChem:1055120
The XLogP value of 2.8642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055120. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055120. Following Lipinski's Rule of Five, RefChem:1055120 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1055120?
The CAS number of RefChem:1055120 is 95217-22-4.
What is the molecular formula of RefChem:1055120?
The molecular formula of RefChem:1055120 is C26H29FN2O7.
What is the molecular weight of RefChem:1055120?
The molecular weight of RefChem:1055120 is 500.20 g/mol.
Where can I buy RefChem:1055120?
You can request a quote for RefChem:1055120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055120?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.