托烷司琼
TL;DR: 托烷司琼 (CAS 89565-68-4) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托烷司琼
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate
Also Known As: tropisetron, Tropisetronum, Tropisetron (racemic), Tropisetron [BAN:INN], Tropisetron [INN:BAN]
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 89565-68-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 |
| InChIKey | ZNRGQMMCGHDTEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
托烷司琼 (CAS 89565-68-4), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate.
Chemical Property Profile of 托烷司琼
Property Insights of 托烷司琼
The XLogP value of 3.8 indicates that 托烷司琼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 托烷司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 托烷司琼 has 1 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 托烷司琼?
The CAS number of 托烷司琼 is 89565-68-4.
What is the molecular formula of 托烷司琼?
The molecular formula of 托烷司琼 is C17H20N2O2.
What is the molecular weight of 托烷司琼?
The molecular weight of 托烷司琼 is 284.15 g/mol.
Where can I buy 托烷司琼?
You can request a quote for 托烷司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托烷司琼?
Yes, KEHONG BIO provides custom synthesis services for 托烷司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.