Atropine, sulfate (2:1), dihydrate
TL;DR: Atropine, sulfate (2:1), dihydrate (CAS 73791-47-6) is a chemical compound with molecular formula C34H52N2O12S and molecular weight 712.32 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) 3-hydroxy-2-phenylpropanoate);sulfuric acid;dihydrate
Also Known As: Anaspaz, Barbidonna, Atropine sulphate, Donnagel, Hyoscyamine sulfate
| Molecular Formula | C34H52N2O12S |
|---|---|
| Molecular Weight | 712.32 g/mol |
| LogP | 1.56 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 712.3241 |
| Heavy Atoms | 49 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 73791-47-6 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.O.OS(=O)(=O)O |
| InChIKey | BXSVDJUWKSRQMD-UHFFFAOYSA-N |
Product Overview
Atropine, sulfate (2:1), dihydrate (CAS 73791-47-6), with molecular formula C34H52N2O12S and molecular weight 712.32 g/mol. IUPAC: bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;dihydrate.
Chemical Property Profile of Atropine, sulfate (2:1), dihydrate
Property Insights of Atropine, sulfate (2:1), dihydrate
The XLogP value of 1.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atropine, sulfate (2:1), dihydrate. The TPSA of 185.0 Ų indicates high polarity, suggesting Atropine, sulfate (2:1), dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atropine, sulfate (2:1), dihydrate has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atropine, sulfate (2:1), dihydrate?
The CAS number of Atropine, sulfate (2:1), dihydrate is 73791-47-6.
What is the molecular formula of Atropine, sulfate (2:1), dihydrate?
The molecular formula of Atropine, sulfate (2:1), dihydrate is C34H52N2O12S.
What is the molecular weight of Atropine, sulfate (2:1), dihydrate?
The molecular weight of Atropine, sulfate (2:1), dihydrate is 712.32 g/mol.
Where can I buy Atropine, sulfate (2:1), dihydrate?
You can request a quote for Atropine, sulfate (2:1), dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine, sulfate (2:1), dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Atropine, sulfate (2:1), dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.