Hyoscyamine sulfate
TL;DR: Hyoscyamine sulfate (CAS 620-61-1) is a chemical compound with molecular formula C34H48N2O10S and molecular weight 676.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate);sulfuric acid
Also Known As: Hyoscyamine sulfate, Levsin sulfate, hyoscyamine, Daturine, Levsinex
| Molecular Formula | C34H48N2O10S |
|---|---|
| Molecular Weight | 676.30 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.303 |
| Heavy Atoms | 47 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 620-61-1 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.OS(=O)(=O)O |
| InChIKey | HOBWAPHTEJGALG-YMCAWCDYSA-N |
Product Overview
Hyoscyamine sulfate (CAS 620-61-1), with molecular formula C34H48N2O10S and molecular weight 676.30 g/mol. IUPAC: bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate);sulfuric acid.
Chemical Property Profile of Hyoscyamine sulfate
Property Insights of Hyoscyamine sulfate
The XLogP value of 3.21 indicates that Hyoscyamine sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting Hyoscyamine sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hyoscyamine sulfate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hyoscyamine sulfate?
The CAS number of Hyoscyamine sulfate is 620-61-1.
What is the molecular formula of Hyoscyamine sulfate?
The molecular formula of Hyoscyamine sulfate is C34H48N2O10S.
What is the molecular weight of Hyoscyamine sulfate?
The molecular weight of Hyoscyamine sulfate is 676.30 g/mol.
Where can I buy Hyoscyamine sulfate?
You can request a quote for Hyoscyamine sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hyoscyamine sulfate?
Yes, KEHONG BIO provides custom synthesis services for Hyoscyamine sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.