Strophanthidine scopolamine bromide
TL;DR: Strophanthidine scopolamine bromide (CAS 97817-84-0) is a chemical compound with molecular formula C42H54BrNO11 and molecular weight 827.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4R)-9-[2-[[(3S,5S,8R,9S,10R,13R,17S)-5,14-dihydroxy-10-(methoxymethyl)-13-methyl-17-(5-oxooxolan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethylidene]-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (E)-3-hydroxy-2-phenylprop-2-enoate bromide
Also Known As: Strophanthidine scopolamine bromide, Card-20(22)-enolide, 5,14-dihydroxy-3-(((7-(3-hydroxy-1-oxo-2-phenylpropoxy)-3-oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))non-9-yl)acetyl)oxy)-19-hydroxy-, bromide, (3-beta,(1-alpha,2-beta,4-beta,5-alpha,7-beta(S)),5-beta)-
| Molecular Formula | C42H54BrNO11 |
|---|---|
| Molecular Weight | 827.29 g/mol |
| LogP | 0.8867 |
| Topological Polar Surface Area | 164.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 827.288 |
| Heavy Atoms | 55 |
| Complexity | 1734.8939 |
Chemical Identifiers
| CAS Number | 97817-84-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1(CC[C@H]2C4CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C=[N+]6[C@H]7CC(CC6[C@@H]8[C@H]7O8)OC(=O)/C(=C/O)/C9=CC=CC=C9)COC)O.[Br-] |
Product Overview
Strophanthidine scopolamine bromide (CAS 97817-84-0), with molecular formula C42H54BrNO11 and molecular weight 827.29 g/mol. IUPAC: [(1S,2S,4R)-9-[2-[[(3S,5S,8R,9S,10R,13R,17S)-5,14-dihydroxy-10-(methoxymethyl)-13-methyl-17-(5-oxooxolan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethylidene]-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (E)-3-hydroxy-2-phenylprop-2-enoate bromide.
Chemical Property Profile of Strophanthidine scopolamine bromide
Property Insights of Strophanthidine scopolamine bromide
The XLogP value of 0.8867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strophanthidine scopolamine bromide. The TPSA of 164.36 Ų indicates high polarity, suggesting Strophanthidine scopolamine bromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Strophanthidine scopolamine bromide 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 Strophanthidine scopolamine bromide?
The CAS number of Strophanthidine scopolamine bromide is 97817-84-0.
What is the molecular formula of Strophanthidine scopolamine bromide?
The molecular formula of Strophanthidine scopolamine bromide is C42H54BrNO11.
What is the molecular weight of Strophanthidine scopolamine bromide?
The molecular weight of Strophanthidine scopolamine bromide is 827.29 g/mol.
Where can I buy Strophanthidine scopolamine bromide?
You can request a quote for Strophanthidine scopolamine bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strophanthidine scopolamine bromide?
Yes, KEHONG BIO provides custom synthesis services for Strophanthidine scopolamine bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.