RefChem:375412
TL;DR: RefChem:375412 (CAS 63957-28-8) is a chemical compound with molecular formula C23H29Cl2F3N2O3 and molecular weight 508.15073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]propan-1-one;dihydrochloride
Also Known As: KST-1B6980, 1-(4-Propionylphenoxy)-3-(4-(m-trifluoromethyl)phenylpiperazinyl)propan-2-ol dihydrochloride, Propiophenone, 4'-(2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl)propoxy)-, dihydrochloride, 1-[4-(2-hydroxy-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propoxy)phenyl]propan-1-one dihydrochloride, 1-[4-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propoxy)phenyl]propan-1-one--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C23H29Cl2F3N2O3 |
| Molecular Weight | 508.15073 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.15073 Da |
| Heavy Atoms | 33 |
| Complexity | 559.0 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O.Cl.Cl |
| InChIKey | LYCOGTNKKCCKLN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:375412
Property Insights of RefChem:375412
The XLogP value of 4.7 indicates that RefChem:375412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, RefChem:375412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:375412 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:375412?
The CAS number of RefChem:375412 is 63957-28-8.
What is the molecular formula of RefChem:375412?
The molecular formula of RefChem:375412 is C23H29Cl2F3N2O3.
What is the molecular weight of RefChem:375412?
The molecular weight of RefChem:375412 is 508.15073 g/mol.
Where can I buy RefChem:375412?
You can request a quote for RefChem:375412 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:375412?
Yes, CoreyChem provides custom synthesis services for RefChem:375412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.