RefChem:1082546
TL;DR: RefChem:1082546 (CAS 67931-93-5) is a chemical compound with molecular formula C22H29F3N2O5 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
Also Known As: LJ 1161, 2-(4-(m-Trifluoromethylphenyl)piperazino)methyl-cyclohexanol fumarate, Cyclohexanol, 2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, (E)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
| Molecular Formula | C22H29F3N2O5 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 3.0903 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.20285 |
| Heavy Atoms | 32 |
| Complexity | 776.0161 |
Chemical Identifiers
| CAS Number | 67931-93-5 |
|---|---|
| SMILES | C1CCC(C(C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1082546 (CAS 67931-93-5), with molecular formula C22H29F3N2O5 and molecular weight 458.20 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol.
Chemical Property Profile of RefChem:1082546
Property Insights of RefChem:1082546
The XLogP value of 3.0903 indicates that RefChem:1082546 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1082546. Following Lipinski's Rule of Five, RefChem:1082546 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1082546?
The CAS number of RefChem:1082546 is 67931-93-5.
What is the molecular formula of RefChem:1082546?
The molecular formula of RefChem:1082546 is C22H29F3N2O5.
What is the molecular weight of RefChem:1082546?
The molecular weight of RefChem:1082546 is 458.20 g/mol.
Where can I buy RefChem:1082546?
You can request a quote for RefChem:1082546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082546?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.