RefChem:1056512
TL;DR: RefChem:1056512 (CAS 65274-81-9) is a chemical compound with molecular formula C32H39FN4O10 and molecular weight 658.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate;bis((E)-but-2-enedioic acid)
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2), Benzyl 4-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-1-piperazinecarboxylate (2E)-2-butenedioate (1:2), 1-Piperazinecarboxylicacid,4-(2-(4- -,phenylmethylester, -2-butenedioate, Benzyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate; But-2-enedioic Acid, benzyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate; (E)-but-2-enedioic acid
| Molecular Formula | C32H39FN4O10 |
|---|---|
| Molecular Weight | 658.26 g/mol |
| LogP | 2.3257 |
| Topological Polar Surface Area | 188.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 658.265 |
| Heavy Atoms | 47 |
| Complexity | 1289.6995 |
Chemical Identifiers
| CAS Number | 65274-81-9 |
|---|---|
| SMILES | C1N(CCN(C1)C2=CC=C(C=C2)F)CCN3CCN(CC3)C(=O)OCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056512 (CAS 65274-81-9), with molecular formula C32H39FN4O10 and molecular weight 658.26 g/mol. IUPAC: benzyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1056512
Property Insights of RefChem:1056512
The XLogP value of 2.3257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056512. The TPSA of 188.46 Ų indicates high polarity, suggesting RefChem:1056512 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056512 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056512?
The CAS number of RefChem:1056512 is 65274-81-9.
What is the molecular formula of RefChem:1056512?
The molecular formula of RefChem:1056512 is C32H39FN4O10.
What is the molecular weight of RefChem:1056512?
The molecular weight of RefChem:1056512 is 658.26 g/mol.
Where can I buy RefChem:1056512?
You can request a quote for RefChem:1056512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056512?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.