Belladonnine
TL;DR: Belladonnine (CAS 5878-33-1) 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.
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
Also Known As: Belladonnine, alpha-Belladonnine, Isatropylditropeine, Tropyl isatropate, Ditropyl isatropate
| Molecular Formula | C34H42N2O4 |
|---|---|
| Molecular Weight | 542.31 g/mol |
| LogP | 6.1 |
| 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 | 5878-33-1 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)C3(CCC(C4=CC=CC=C43)C(=O)OC5CC6CCC(C5)N6C)C(=O)OC7=CC=CC=C7 |
| InChIKey | AVAUQNOLDJXDPM-UHFFFAOYSA-N |
Product Overview
Belladonnine (CAS 5878-33-1), with molecular formula C34H42N2O4 and molecular weight 542.31 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.
Chemical Property Profile of Belladonnine
Property Insights of Belladonnine
The XLogP value of 6.1 indicates that Belladonnine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Belladonnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Belladonnine 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 Belladonnine?
The CAS number of Belladonnine is 5878-33-1.
What is the molecular formula of Belladonnine?
The molecular formula of Belladonnine is C34H42N2O4.
What is the molecular weight of Belladonnine?
The molecular weight of Belladonnine is 542.31 g/mol.
Where can I buy Belladonnine?
You can request a quote for Belladonnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Belladonnine?
Yes, KEHONG BIO provides custom synthesis services for Belladonnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.