富马酸GR-89696
TL;DR: 富马酸GR-89696 (CAS 126766-31-2) 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.
富马酸GR-89696
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
| Molecular Formula | C19H25Cl2N3O3 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1273 |
| Heavy Atoms | 27 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 126766-31-2 |
|---|---|
| SMILES | COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | HJUAKZYKCANOOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
富马酸GR-89696 (CAS 126766-31-2), with molecular formula C19H25Cl2N3O3 and molecular weight 413.13 g/mol. IUPAC: methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate.
Chemical Property Profile of 富马酸GR-89696
Property Insights of 富马酸GR-89696
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 富马酸GR-89696. With a topological polar surface area (TPSA) of 53.1 Ų, 富马酸GR-89696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 富马酸GR-89696 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
Frequently Asked Questions
What is the CAS number of 富马酸GR-89696?
The CAS number of 富马酸GR-89696 is 126766-31-2.
What is the molecular formula of 富马酸GR-89696?
The molecular formula of 富马酸GR-89696 is C19H25Cl2N3O3.
What is the molecular weight of 富马酸GR-89696?
The molecular weight of 富马酸GR-89696 is 413.13 g/mol.
Where can I buy 富马酸GR-89696?
You can request a quote for 富马酸GR-89696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 富马酸GR-89696?
Yes, KEHONG BIO provides custom synthesis services for 富马酸GR-89696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.