GR-89696 fumarate
TL;DR: GR-89696 fumarate (CAS 126766-31-2) 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.
methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Also Known As: GR-89696 fumarate, GR 89696 free base, GR 89696 (free base), Lopac0_000572, GR 89696
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 | 2.8 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1273 Da |
| Heavy Atoms | 27 |
| Complexity | 530.0 |
| SMILES | COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | HJUAKZYKCANOOZ-UHFFFAOYSA-N |
Chemical Property Profile of GR-89696 fumarate
Property Insights of GR-89696 fumarate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GR-89696 fumarate. With a topological polar surface area (TPSA) of 53.1 Ų, GR-89696 fumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, GR-89696 fumarate has 0 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-89696 fumarate?
The CAS number of GR-89696 fumarate is 126766-31-2.
What is the molecular formula of GR-89696 fumarate?
The molecular formula of GR-89696 fumarate is C19H25Cl2N3O3.
What is the molecular weight of GR-89696 fumarate?
The molecular weight of GR-89696 fumarate is 413.1273 g/mol.
Where can I buy GR-89696 fumarate?
You can request a quote for GR-89696 fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for GR-89696 fumarate?
Yes, CoreyChem provides custom synthesis services for GR-89696 fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.