Tropisetron hydrochloride
TL;DR: Tropisetron hydrochloride (CAS 89613-86-5) is a chemical compound with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride
Also Known As: Tropisetron hydrochloride, TROPISETRON HCl, tropisetron, Navoban, Tropisetron monohydrochloride
| Molecular Formula | C17H21ClN2O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 3.3717 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.12915 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 89613-86-5 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl |
| InChIKey | XIEGSJAEZIGKSA-KOQCZNHOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tropisetron hydrochloride (CAS 89613-86-5), with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride.
Chemical Property Profile of Tropisetron hydrochloride
Property Insights of Tropisetron hydrochloride
The XLogP value of 3.3717 indicates that Tropisetron hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, Tropisetron hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropisetron hydrochloride has 2 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 Tropisetron hydrochloride?
The CAS number of Tropisetron hydrochloride is 89613-86-5.
What is the molecular formula of Tropisetron hydrochloride?
The molecular formula of Tropisetron hydrochloride is C17H21ClN2O2.
What is the molecular weight of Tropisetron hydrochloride?
The molecular weight of Tropisetron hydrochloride is 320.13 g/mol.
Where can I buy Tropisetron hydrochloride?
You can request a quote for Tropisetron hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropisetron hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Tropisetron hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.