Roluperidone
TL;DR: Roluperidone (CAS 359625-79-9) is a chemical compound with molecular formula C22H23FN2O2 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
Also Known As: Roluperidone, Roluperidona, roluperidonum, Roluperidon, MIN-101 FREE BASE
| Molecular Formula | C22H23FN2O2 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 3.3764 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.17435 |
| Heavy Atoms | 27 |
| Complexity | 841.64624 |
Chemical Identifiers
| CAS Number | 359625-79-9 |
|---|---|
| SMILES | C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)F |
Product Overview
Roluperidone (CAS 359625-79-9), with molecular formula C22H23FN2O2 and molecular weight 366.17 g/mol. IUPAC: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one.
Chemical Property Profile of Roluperidone
Property Insights of Roluperidone
The XLogP value of 3.3764 indicates that Roluperidone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, Roluperidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roluperidone has 0 hydrogen bond donor(s) and 3 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 Roluperidone?
The CAS number of Roluperidone is 359625-79-9.
What is the molecular formula of Roluperidone?
The molecular formula of Roluperidone is C22H23FN2O2.
What is the molecular weight of Roluperidone?
The molecular weight of Roluperidone is 366.17 g/mol.
Where can I buy Roluperidone?
You can request a quote for Roluperidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roluperidone?
Yes, KEHONG BIO provides custom synthesis services for Roluperidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.