RefChem:316870
TL;DR: RefChem:316870 (CAS 63990-55-6) is a chemical compound with molecular formula C25H34Cl2N2O4 and molecular weight 496.18958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(2-acetylphenoxy)-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propan-2-yl] acetate;dihydrochloride
Also Known As: Acetophenone, 2'-((2-hydroxy-3-(4-(4-o-xylyl)piperazinyl))propoxy)-, dihydrochloride, acetate, 1-(o-Acetophenoxy)-2-acetoxy-3-(N(sup 4)-(3,4-dimethylphenyl)piperazinyl)propane, [1-(2-acetylphenoxy)-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propan-2-yl] acetate dihydrochloride, 1-(2-Acetylphenoxy)-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propan-2-yl acetate--hydrogen chloride (1/2), Ethanone, 1-[2-[2-(acetyloxy)-3-[4-(3,4-dimethylphenyl)-1-piperazinyl]propoxy]phenyl]-, dihydrochloride
Technical Specifications
| Molecular Formula | C25H34Cl2N2O4 |
| Molecular Weight | 496.18958 g/mol |
| XLogP | 4.48 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.18958 Da |
| Heavy Atoms | 33 |
| Complexity | 590.0 |
| SMILES | CC1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)C)OC(=O)C)C.Cl.Cl |
| InChIKey | GDGHUKIIRSLWAL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:316870
Property Insights of RefChem:316870
The XLogP value of 4.48 indicates that RefChem:316870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, RefChem:316870 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:316870 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:316870?
The CAS number of RefChem:316870 is 63990-55-6.
What is the molecular formula of RefChem:316870?
The molecular formula of RefChem:316870 is C25H34Cl2N2O4.
What is the molecular weight of RefChem:316870?
The molecular weight of RefChem:316870 is 496.18958 g/mol.
Where can I buy RefChem:316870?
You can request a quote for RefChem:316870 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:316870?
Yes, CoreyChem provides custom synthesis services for RefChem:316870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.