GR 94839
TL;DR: GR 94839 (CAS 133407-20-2) is a chemical compound with molecular formula C19H25Cl2N3O3 and molecular weight 413.1273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
Also Known As: GR 94839, 1-[4-acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone, 4-Acetyl-1-((3,4-dichlorophenyl)acetyl)-2-((3-hydroxy-1-pyrrolidinyl)methyl)piperazine, Piperazine, 4-acetyl-1-((3,4-dichlorophenyl)acetyl)-2-((3-hydroxy-1-pyrrolidinyl)methyl)-, 1-{4-Acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl}-2-(3,4-dichlorophenyl)ethan-1-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H25Cl2N3O3 |
| Molecular Weight | 413.1273 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1273 Da |
| Heavy Atoms | 27 |
| Complexity | 550.0 |
| SMILES | CC(=O)N1CCN(C(C1)CN2CCC(C2)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | ZFWNCCCNZIYJAQ-UHFFFAOYSA-N |
Chemical Property Profile of GR 94839
Property Insights of GR 94839
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GR 94839. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for GR 94839. Following Lipinski's Rule of Five, GR 94839 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
What is the CAS number of GR 94839?
The CAS number of GR 94839 is 133407-20-2.
What is the molecular formula of GR 94839?
The molecular formula of GR 94839 is C19H25Cl2N3O3.
What is the molecular weight of GR 94839?
The molecular weight of GR 94839 is 413.1273 g/mol.
Where can I buy GR 94839?
You can request a quote for GR 94839 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for GR 94839?
Yes, CoreyChem provides custom synthesis services for GR 94839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.