Aplindore Fumarate
TL;DR: Aplindore Fumarate (CAS 189681-71-8) is a chemical compound with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(benzylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one;(E)-but-2-enedioic acid
Also Known As: Aplindore fumarate, Aplindore, Palindore Fumarate, Palindore, Aplindore (fumarate)
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 1.8226 |
| Topological Polar Surface Area | 134.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 972.854 |
Chemical Identifiers
| CAS Number | 189681-71-8 |
|---|---|
| SMILES | C1[C@@H](OC2=C(O1)C=CC3=C2CC(=O)N3)CNCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
Aplindore Fumarate (CAS 189681-71-8), with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol. IUPAC: (2S)-2-[(benzylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one;(E)-but-2-enedioic acid.
Chemical Property Profile of Aplindore Fumarate
Property Insights of Aplindore Fumarate
The XLogP value of 1.8226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aplindore Fumarate. The TPSA of 134.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Aplindore Fumarate. Following Lipinski's Rule of Five, Aplindore Fumarate has 4 hydrogen bond donor(s) and 6 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 Aplindore Fumarate?
The CAS number of Aplindore Fumarate is 189681-71-8.
What is the molecular formula of Aplindore Fumarate?
The molecular formula of Aplindore Fumarate is C22H22N2O7.
What is the molecular weight of Aplindore Fumarate?
The molecular weight of Aplindore Fumarate is 426.14 g/mol.
Where can I buy Aplindore Fumarate?
You can request a quote for Aplindore Fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplindore Fumarate?
Yes, KEHONG BIO provides custom synthesis services for Aplindore Fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.