Mirisetron
TL;DR: Mirisetron (CAS 135905-89-4) is a chemical compound with molecular formula C24H31N3O2 and molecular weight 393.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxamide
Also Known As: Mirisetron [INN], MIRISETRON MALEATE, MIRISETRON [WHO-DD], 1-cyclohexyl-n-[(1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, 1-cyclohexyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxamide
| Molecular Formula | C24H31N3O2 |
|---|---|
| Molecular Weight | 393.24 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.24164 |
| Heavy Atoms | 29 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 135905-89-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CN(C4=CC=CC=C4C3=O)C5CCCCC5 |
| InChIKey | RFXHBILZLMJCSN-JLYLLQBASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mirisetron (CAS 135905-89-4), with molecular formula C24H31N3O2 and molecular weight 393.24 g/mol. IUPAC: 1-cyclohexyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxamide.
Chemical Property Profile of Mirisetron
Property Insights of Mirisetron
The XLogP value of 4.2 indicates that Mirisetron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, Mirisetron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mirisetron 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 Mirisetron?
The CAS number of Mirisetron is 135905-89-4.
What is the molecular formula of Mirisetron?
The molecular formula of Mirisetron is C24H31N3O2.
What is the molecular weight of Mirisetron?
The molecular weight of Mirisetron is 393.24 g/mol.
Where can I buy Mirisetron?
You can request a quote for Mirisetron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mirisetron?
Yes, KEHONG BIO provides custom synthesis services for Mirisetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.