硫酸阿托品
TL;DR: 硫酸阿托品 (CAS 5908-99-6) is a chemical compound with molecular formula C34H50N2O11S and molecular weight 694.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸阿托品
bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate
Also Known As: Atropine sulfate, Atropine sulfate monohydrate, Isopto Atropine, Barbidonna, Antrocol
| Molecular Formula | C34H50N2O11S |
|---|---|
| Molecular Weight | 694.31 g/mol |
| LogP | 2.38 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 694.31354 |
| Heavy Atoms | 48 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 5908-99-6 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O |
| InChIKey | JPKKQJKQTPNWTR-UHFFFAOYSA-N |
Product Overview
硫酸阿托品 (CAS 5908-99-6), with molecular formula C34H50N2O11S and molecular weight 694.31 g/mol. IUPAC: bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate.
Chemical Property Profile of 硫酸阿托品
Property Insights of 硫酸阿托品
The XLogP value of 2.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫酸阿托品. The TPSA of 184.0 Ų indicates high polarity, suggesting 硫酸阿托品 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸阿托品 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸阿托品?
The CAS number of 硫酸阿托品 is 5908-99-6.
What is the molecular formula of 硫酸阿托品?
The molecular formula of 硫酸阿托品 is C34H50N2O11S.
What is the molecular weight of 硫酸阿托品?
The molecular weight of 硫酸阿托品 is 694.31 g/mol.
Where can I buy 硫酸阿托品?
You can request a quote for 硫酸阿托品 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸阿托品?
Yes, KEHONG BIO provides custom synthesis services for 硫酸阿托品 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.