RefChem:1056508
TL;DR: RefChem:1056508 (CAS 65274-77-3) is a chemical compound with molecular formula C28H37F3N4O10 and molecular weight 646.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate, ETHYL 4-[2-[4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL]ETHYL]PIPERAZINE-1-CARBOXYLATE MALEATE, RefChem:1056508
| Molecular Formula | C28H37F3N4O10 |
|---|---|
| Molecular Weight | 646.25 g/mol |
| LogP | 2.0251 |
| Topological Polar Surface Area | 188.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 646.24615 |
| Heavy Atoms | 45 |
| Complexity | 1127.2769 |
Chemical Identifiers
| CAS Number | 65274-77-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056508 (CAS 65274-77-3), with molecular formula C28H37F3N4O10 and molecular weight 646.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate.
Chemical Property Profile of RefChem:1056508
Property Insights of RefChem:1056508
The XLogP value of 2.0251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056508. The TPSA of 188.46 Ų indicates high polarity, suggesting RefChem:1056508 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056508 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:1056508?
The CAS number of RefChem:1056508 is 65274-77-3.
What is the molecular formula of RefChem:1056508?
The molecular formula of RefChem:1056508 is C28H37F3N4O10.
What is the molecular weight of RefChem:1056508?
The molecular weight of RefChem:1056508 is 646.25 g/mol.
Where can I buy RefChem:1056508?
You can request a quote for RefChem:1056508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056508?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.