Eletriptan hemisulfate
TL;DR: Eletriptan hemisulfate (CAS 219790-71-3) is a chemical compound with molecular formula C44H54N4O8S3 and molecular weight 862.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole);sulfuric acid
Also Known As: Eletriptan hemisulfate, 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; Sulfuric Acid
| Molecular Formula | C44H54N4O8S3 |
|---|---|
| Molecular Weight | 862.31 g/mol |
| LogP | 6.9892 |
| Topological Polar Surface Area | 180.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 862.31036 |
| Heavy Atoms | 59 |
| Complexity | 2470.1677 |
Chemical Identifiers
| CAS Number | 219790-71-3 |
|---|---|
| SMILES | CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.OS(=O)(=O)O |
Product Overview
Eletriptan hemisulfate (CAS 219790-71-3), with molecular formula C44H54N4O8S3 and molecular weight 862.31 g/mol. IUPAC: bis(5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole);sulfuric acid.
Chemical Property Profile of Eletriptan hemisulfate
Property Insights of Eletriptan hemisulfate
The XLogP value of 6.9892 indicates that Eletriptan hemisulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.94 Ų indicates high polarity, suggesting Eletriptan hemisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eletriptan hemisulfate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eletriptan hemisulfate?
The CAS number of Eletriptan hemisulfate is 219790-71-3.
What is the molecular formula of Eletriptan hemisulfate?
The molecular formula of Eletriptan hemisulfate is C44H54N4O8S3.
What is the molecular weight of Eletriptan hemisulfate?
The molecular weight of Eletriptan hemisulfate is 862.31 g/mol.
Where can I buy Eletriptan hemisulfate?
You can request a quote for Eletriptan hemisulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eletriptan hemisulfate?
Yes, KEHONG BIO provides custom synthesis services for Eletriptan hemisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.