Belladonnine bis(ethobromide)
TL;DR: Belladonnine bis(ethobromide) (CAS 5908-90-7) is a chemical compound with molecular formula C38H52Br2N2O4 and molecular weight 758.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide
Also Known As: Belladonnine bis(ethobromide), Belladonnine bis(bromoethylate), 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-alpha-hydroxy-, bromide, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (2:1), 1.alpha.H,5.alpha.H-Tropanium, 8-ethyl-3.alpha.-hydroxy-, bromide, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (2:1), 3,3'-[(1-Phenyl-1,2,3,4-tetrahydronaphthalene-1,4-diyl)bis(carbonyloxy)]bis(8-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium) dibromide
| Molecular Formula | C38H52Br2N2O4 |
|---|---|
| Molecular Weight | 758.23 g/mol |
| LogP | 0.2643 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 758.2294 |
| Heavy Atoms | 46 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 5908-90-7 |
|---|---|
| SMILES | CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)[N+]7(C)CC)C.[Br-].[Br-] |
| InChIKey | LSGZDWDVTHECJK-UHFFFAOYSA-L |
Product Overview
Belladonnine bis(ethobromide) (CAS 5908-90-7), with molecular formula C38H52Br2N2O4 and molecular weight 758.23 g/mol. IUPAC: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide.
Chemical Property Profile of Belladonnine bis(ethobromide)
Property Insights of Belladonnine bis(ethobromide)
The XLogP value of 0.2643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Belladonnine bis(ethobromide). With a topological polar surface area (TPSA) of 52.6 Ų, Belladonnine bis(ethobromide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Belladonnine bis(ethobromide) 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 bis(ethobromide)?
The CAS number of Belladonnine bis(ethobromide) is 5908-90-7.
What is the molecular formula of Belladonnine bis(ethobromide)?
The molecular formula of Belladonnine bis(ethobromide) is C38H52Br2N2O4.
What is the molecular weight of Belladonnine bis(ethobromide)?
The molecular weight of Belladonnine bis(ethobromide) is 758.23 g/mol.
Where can I buy Belladonnine bis(ethobromide)?
You can request a quote for Belladonnine bis(ethobromide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Belladonnine bis(ethobromide)?
Yes, KEHONG BIO provides custom synthesis services for Belladonnine bis(ethobromide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.