RefChem:233897
TL;DR: RefChem:233897 (CAS 50743-86-7) is a chemical compound with molecular formula C22H31Cl2F3N2O2 and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethynylcyclohexyl)oxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;dihydrochloride
Also Known As: 1-Piperazineethanol, alpha-(((1-ethynylcyclohexyl)oxy)methyl)-4-(3-(trifluoromethyl)phenyl)-,dihydrochloride, 1-(1-ethynylcyclohexyl)oxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol dihydrochloride, 1-[(1-Ethynylcyclohexyl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol--hydrogen chloride (1/2), RefChem:233897
| Molecular Formula | C22H31Cl2F3N2O2 |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 4.3846 |
| Topological Polar Surface Area | 35.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.17148 |
| Heavy Atoms | 31 |
| Complexity | 713.44293 |
Chemical Identifiers
| CAS Number | 50743-86-7 |
|---|---|
| SMILES | C#CC1(CCCCC1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O.Cl.Cl |
Product Overview
RefChem:233897 (CAS 50743-86-7), with molecular formula C22H31Cl2F3N2O2 and molecular weight 482.17 g/mol. IUPAC: 1-(1-ethynylcyclohexyl)oxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;dihydrochloride.
Chemical Property Profile of RefChem:233897
Property Insights of RefChem:233897
The XLogP value of 4.3846 indicates that RefChem:233897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.94 Ų, RefChem:233897 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233897 has 1 hydrogen bond donor(s) and 4 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:233897?
The CAS number of RefChem:233897 is 50743-86-7.
What is the molecular formula of RefChem:233897?
The molecular formula of RefChem:233897 is C22H31Cl2F3N2O2.
What is the molecular weight of RefChem:233897?
The molecular weight of RefChem:233897 is 482.17 g/mol.
Where can I buy RefChem:233897?
You can request a quote for RefChem:233897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233897?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.