Eletriptan Hydrobromide
TL;DR: Eletriptan Hydrobromide (CAS 17783-49-2) is a chemical compound with molecular formula C22H27BrN2O2S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
Also Known As: Eletriptan hydrobromide, Eletriptan HBr, Relpax, Eletriptan, Relert
| Molecular Formula | C22H27BrN2O2S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.3989 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.09766 |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 17783-49-2 |
|---|---|
| SMILES | CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br |
| InChIKey | UTINOWOSWSPFLJ-FSRHSHDFSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Eletriptan Hydrobromide (CAS 17783-49-2), with molecular formula C22H27BrN2O2S and molecular weight 462.10 g/mol. IUPAC: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide.
Chemical Property Profile of Eletriptan Hydrobromide
Property Insights of Eletriptan Hydrobromide
The XLogP value of 4.3989 indicates that Eletriptan Hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Eletriptan Hydrobromide. Following Lipinski's Rule of Five, Eletriptan Hydrobromide 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 Eletriptan Hydrobromide?
The CAS number of Eletriptan Hydrobromide is 17783-49-2.
What is the molecular formula of Eletriptan Hydrobromide?
The molecular formula of Eletriptan Hydrobromide is C22H27BrN2O2S.
What is the molecular weight of Eletriptan Hydrobromide?
The molecular weight of Eletriptan Hydrobromide is 462.10 g/mol.
Where can I buy Eletriptan Hydrobromide?
You can request a quote for Eletriptan Hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eletriptan Hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Eletriptan Hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.