RefChem:321166
TL;DR: RefChem:321166 (CAS 84344-64-9) is a chemical compound with molecular formula C21H25Cl2F3N2O2 and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde;dihydrochloride
Also Known As: Benzaldehyde, 3-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride, 3-(3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)propoxy)benzaldehyde dihydrochloride, 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde dihydrochloride, 3-(3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propoxy)benzaldehyde--hydrogen chloride (1/2), RefChem:321166
| Molecular Formula | C21H25Cl2F3N2O2 |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 4.95 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.1245 |
| Heavy Atoms | 30 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 84344-64-9 |
|---|---|
| SMILES | C1CN(CCN1CCCOC2=CC=CC(=C2)C=O)C3=CC=CC(=C3)C(F)(F)F.Cl.Cl |
| InChIKey | VMHQJMYKAWWNOB-UHFFFAOYSA-N |
Product Overview
RefChem:321166 (CAS 84344-64-9), with molecular formula C21H25Cl2F3N2O2 and molecular weight 464.12 g/mol. IUPAC: 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde;dihydrochloride.
Chemical Property Profile of RefChem:321166
Property Insights of RefChem:321166
The XLogP value of 4.95 indicates that RefChem:321166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:321166 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:321166 has 2 hydrogen bond donor(s) and 7 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:321166?
The CAS number of RefChem:321166 is 84344-64-9.
What is the molecular formula of RefChem:321166?
The molecular formula of RefChem:321166 is C21H25Cl2F3N2O2.
What is the molecular weight of RefChem:321166?
The molecular weight of RefChem:321166 is 464.12 g/mol.
Where can I buy RefChem:321166?
You can request a quote for RefChem:321166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321166?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.