Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride
TL;DR: Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride (CAS 105826-92-4) 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] 3H-indole-3-carboxylate;hydrochloride
Also Known As: Navoban, tropisetron, TROPISETRON HCl, Tropisetron hydrochloride, s1898
| Molecular Formula | C17H21ClN2O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 3.0763 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.12915 |
| Heavy Atoms | 22 |
| Complexity | 590.07666 |
Chemical Identifiers
| CAS Number | 105826-92-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=NC4=CC=CC=C34.Cl |
Product Overview
Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride (CAS 105826-92-4), with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3H-indole-3-carboxylate;hydrochloride.
Chemical Property Profile of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride
Property Insights of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride
The XLogP value of 3.0763 indicates that Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride has 0 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 Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride?
The CAS number of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride is 105826-92-4.
What is the molecular formula of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride?
The molecular formula of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride is C17H21ClN2O2.
What is the molecular weight of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride?
The molecular weight of Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride is 320.13 g/mol.
Where can I buy Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride?
You can request a quote for Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-OL indol-3-YL-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.