GR 94839
TL;DR: GR 94839 (CAS 133407-20-2) is a chemical compound with molecular formula C19H25Cl2N3O3 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H25Cl2N3O3 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1273 |
| Heavy Atoms | 27 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 133407-20-2 |
|---|---|
| SMILES | CC(=O)N1CCN(C(C1)CN2CCC(C2)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | ZFWNCCCNZIYJAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
GR 94839 (CAS 133407-20-2), with molecular formula C19H25Cl2N3O3 and molecular weight 413.13 g/mol. IUPAC: 1-[4-acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone.
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
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 413.13 g/mol.
Where can I buy GR 94839?
You can request a quote for GR 94839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GR 94839?
Yes, KEHONG BIO provides custom synthesis services for GR 94839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.