Magnoflorine styphnate
TL;DR: Magnoflorine styphnate (CAS 2140-90-1) is a chemical compound with molecular formula C26H26N4O12 and molecular weight 586.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;3-hydroxy-2,4,6-trinitrophenolate
Also Known As: Magnoflorine styphnate, 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-, salt with 2,4,6-trinitro-1,3-benzenediol (1:1), (6aS)-1,11-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium 3-hydroxy-2,4,6-trinitrophenolate
| Molecular Formula | C26H26N4O12 |
|---|---|
| Molecular Weight | 586.15 g/mol |
| LogP | 3.2021 |
| Topological Polar Surface Area | 231.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 586.1547 |
| Heavy Atoms | 42 |
| Complexity | 1615.1439 |
Chemical Identifiers
| CAS Number | 2140-90-1 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
Magnoflorine styphnate (CAS 2140-90-1), with molecular formula C26H26N4O12 and molecular weight 586.15 g/mol. IUPAC: (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;3-hydroxy-2,4,6-trinitrophenolate.
Chemical Property Profile of Magnoflorine styphnate
Property Insights of Magnoflorine styphnate
The XLogP value of 3.2021 indicates that Magnoflorine styphnate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.63 Ų indicates high polarity, suggesting Magnoflorine styphnate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Magnoflorine styphnate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Magnoflorine styphnate?
The CAS number of Magnoflorine styphnate is 2140-90-1.
What is the molecular formula of Magnoflorine styphnate?
The molecular formula of Magnoflorine styphnate is C26H26N4O12.
What is the molecular weight of Magnoflorine styphnate?
The molecular weight of Magnoflorine styphnate is 586.15 g/mol.
Where can I buy Magnoflorine styphnate?
You can request a quote for Magnoflorine styphnate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magnoflorine styphnate?
Yes, KEHONG BIO provides custom synthesis services for Magnoflorine styphnate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.