RefChem:1095702
TL;DR: RefChem:1095702 (CAS 65274-60-4) is a chemical compound with molecular formula C28H37F3N4O9 and molecular weight 630.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-1-one
Also Known As: Piperazine, 1-(1-oxopropyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-1-one, but-2-enedioic acid; 1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-1-one, RefChem:1095702
| Molecular Formula | C28H37F3N4O9 |
|---|---|
| Molecular Weight | 630.25 g/mol |
| LogP | 1.8052 |
| Topological Polar Surface Area | 179.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 630.2513 |
| Heavy Atoms | 44 |
| Complexity | 1109.1395 |
Chemical Identifiers
| CAS Number | 65274-60-4 |
|---|---|
| SMILES | CCC(=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:1095702 (CAS 65274-60-4), with molecular formula C28H37F3N4O9 and molecular weight 630.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of RefChem:1095702
Property Insights of RefChem:1095702
The XLogP value of 1.8052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095702. The TPSA of 179.23 Ų indicates high polarity, suggesting RefChem:1095702 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095702 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095702?
The CAS number of RefChem:1095702 is 65274-60-4.
What is the molecular formula of RefChem:1095702?
The molecular formula of RefChem:1095702 is C28H37F3N4O9.
What is the molecular weight of RefChem:1095702?
The molecular weight of RefChem:1095702 is 630.25 g/mol.
Where can I buy RefChem:1095702?
You can request a quote for RefChem:1095702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.