RefChem:1095768
TL;DR: RefChem:1095768 (CAS 65274-70-6) is a chemical compound with molecular formula C35H43F3N4O12 and molecular weight 768.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: Piperazine, 1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-4-(3,4,5-trimethoxybenzoyl)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; [4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone, RefChem:1095768
| Molecular Formula | C35H43F3N4O12 |
|---|---|
| Molecular Weight | 768.28 g/mol |
| LogP | 2.7348 |
| Topological Polar Surface Area | 206.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 768.28296 |
| Heavy Atoms | 54 |
| Complexity | 1560.9615 |
Chemical Identifiers
| CAS Number | 65274-70-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)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:1095768 (CAS 65274-70-6), with molecular formula C35H43F3N4O12 and molecular weight 768.28 g/mol. IUPAC: bis((E)-but-2-enedioic acid);[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of RefChem:1095768
Property Insights of RefChem:1095768
The XLogP value of 2.7348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095768. The TPSA of 206.92 Ų indicates high polarity, suggesting RefChem:1095768 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095768 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095768?
The CAS number of RefChem:1095768 is 65274-70-6.
What is the molecular formula of RefChem:1095768?
The molecular formula of RefChem:1095768 is C35H43F3N4O12.
What is the molecular weight of RefChem:1095768?
The molecular weight of RefChem:1095768 is 768.28 g/mol.
Where can I buy RefChem:1095768?
You can request a quote for RefChem:1095768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095768?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.