Belladonna total alkaloids
TL;DR: Belladonna total alkaloids (CAS 23852-32-6) is a chemical compound with molecular formula C34H42N2O4 and molecular weight 542.31 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) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
Also Known As: Belladonnine, beta-Belladonnine, Tropyl isatropate, Belladonnine sulfate, Isatropylditropeine
| Molecular Formula | C34H42N2O4 |
|---|---|
| Molecular Weight | 542.31 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.31445 |
| Heavy Atoms | 40 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 23852-32-6 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C |
| InChIKey | GERIGMSHTUAXSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Belladonna total alkaloids (CAS 23852-32-6), with molecular formula C34H42N2O4 and molecular weight 542.31 g/mol. IUPAC: bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate.
Chemical Property Profile of Belladonna total alkaloids
Property Insights of Belladonna total alkaloids
The XLogP value of 6.0 indicates that Belladonna total alkaloids is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Belladonna total alkaloids exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Belladonna total alkaloids has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Belladonna total alkaloids?
The CAS number of Belladonna total alkaloids is 23852-32-6.
What is the molecular formula of Belladonna total alkaloids?
The molecular formula of Belladonna total alkaloids is C34H42N2O4.
What is the molecular weight of Belladonna total alkaloids?
The molecular weight of Belladonna total alkaloids is 542.31 g/mol.
Where can I buy Belladonna total alkaloids?
You can request a quote for Belladonna total alkaloids directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Belladonna total alkaloids?
Yes, KEHONG BIO provides custom synthesis services for Belladonna total alkaloids and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.