Mirisetron maleate
TL;DR: Mirisetron maleate (CAS 148611-75-0) is a chemical compound with molecular formula C28H35N3O6 and molecular weight 509.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-cyclohexyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxamide
Also Known As: MIRISETRON MALEATE, Mirisetron maleate [USAN], WAY-SEC-579, Mirisetron maleate (USAN), MIRISETRON MALEATE [WHO-DD]
| Molecular Formula | C28H35N3O6 |
|---|---|
| Molecular Weight | 509.25 g/mol |
| LogP | 3.5735 |
| Topological Polar Surface Area | 128.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.2526 |
| Heavy Atoms | 37 |
| Complexity | 1216.1973 |
Chemical Identifiers
| CAS Number | 148611-75-0 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CN(C4=CC=CC=C4C3=O)C5CCCCC5.C(=C\C(=O)O)\C(=O)O |
Product Overview
Mirisetron maleate (CAS 148611-75-0), with molecular formula C28H35N3O6 and molecular weight 509.25 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-cyclohexyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxamide.
Chemical Property Profile of Mirisetron maleate
Property Insights of Mirisetron maleate
The XLogP value of 3.5735 indicates that Mirisetron maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Mirisetron maleate. Following Lipinski's Rule of Five, Mirisetron maleate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mirisetron maleate?
The CAS number of Mirisetron maleate is 148611-75-0.
What is the molecular formula of Mirisetron maleate?
The molecular formula of Mirisetron maleate is C28H35N3O6.
What is the molecular weight of Mirisetron maleate?
The molecular weight of Mirisetron maleate is 509.25 g/mol.
Where can I buy Mirisetron maleate?
You can request a quote for Mirisetron maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mirisetron maleate?
Yes, KEHONG BIO provides custom synthesis services for Mirisetron maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.