Belladonninbisulfat-zusatz
TL;DR: Belladonninbisulfat-zusatz (CAS 5908-89-4) is a chemical compound with molecular formula C34H46N2O9S and molecular weight 658.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate
Also Known As: Belladonninbisulfat-zusatz, Belladonnine bisulfate monohydrate, Belladonninbisulfat-zusatz [German], Belladonnin bis(hydrogensulfat)-1-wasser, 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate
| Molecular Formula | C34H46N2O9S |
|---|---|
| Molecular Weight | 658.29 g/mol |
| LogP | 3.9711 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 658.2924 |
| Heavy Atoms | 46 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 5908-89-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)C3(CCC(C4=CC=CC=C43)C(=O)OC5CC6CCC(C5)N6C)C(=O)OC7=CC=CC=C7.O.OS(=O)(=O)O |
| InChIKey | RDFVUAKFQVGDJQ-UHFFFAOYSA-N |
Product Overview
Belladonninbisulfat-zusatz (CAS 5908-89-4), with molecular formula C34H46N2O9S and molecular weight 658.29 g/mol. IUPAC: 1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate.
Chemical Property Profile of Belladonninbisulfat-zusatz
Property Insights of Belladonninbisulfat-zusatz
The XLogP value of 3.9711 indicates that Belladonninbisulfat-zusatz is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Belladonninbisulfat-zusatz may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Belladonninbisulfat-zusatz has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Belladonninbisulfat-zusatz?
The CAS number of Belladonninbisulfat-zusatz is 5908-89-4.
What is the molecular formula of Belladonninbisulfat-zusatz?
The molecular formula of Belladonninbisulfat-zusatz is C34H46N2O9S.
What is the molecular weight of Belladonninbisulfat-zusatz?
The molecular weight of Belladonninbisulfat-zusatz is 658.29 g/mol.
Where can I buy Belladonninbisulfat-zusatz?
You can request a quote for Belladonninbisulfat-zusatz directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Belladonninbisulfat-zusatz?
Yes, KEHONG BIO provides custom synthesis services for Belladonninbisulfat-zusatz and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.