RefChem:1095958
TL;DR: RefChem:1095958 (CAS 65274-62-6) is a chemical compound with molecular formula C29H37F3N4O9 and molecular weight 642.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);cyclopropyl-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone
Also Known As: Piperazine, 1-(cyclopropylcarbonyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; cyclopropyl-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone, RefChem:1095958
| Molecular Formula | C29H37F3N4O9 |
|---|---|
| Molecular Weight | 642.25 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 | 642.2513 |
| Heavy Atoms | 45 |
| Complexity | 1169.6052 |
Chemical Identifiers
| CAS Number | 65274-62-6 |
|---|---|
| SMILES | C1C(C1)C(=O)N2CCN(CC2)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095958 (CAS 65274-62-6), with molecular formula C29H37F3N4O9 and molecular weight 642.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);cyclopropyl-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone.
Chemical Property Profile of RefChem:1095958
Property Insights of RefChem:1095958
The XLogP value of 1.8052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095958. The TPSA of 179.23 Ų indicates high polarity, suggesting RefChem:1095958 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095958 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:1095958?
The CAS number of RefChem:1095958 is 65274-62-6.
What is the molecular formula of RefChem:1095958?
The molecular formula of RefChem:1095958 is C29H37F3N4O9.
What is the molecular weight of RefChem:1095958?
The molecular weight of RefChem:1095958 is 642.25 g/mol.
Where can I buy RefChem:1095958?
You can request a quote for RefChem:1095958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095958?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.