Sitsirikine sulfate
TL;DR: Sitsirikine sulfate (CAS 66634-25-1) is a chemical compound with molecular formula C42H54N4O10S and molecular weight 806.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Sitsirikine sulfate
bis(methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate);sulfuric acid
Also Known As: Sitsirikine sulfate, 17,18-Secoyohimban-16-carboxylic acid, 18,19-didehydro-17-hydroxy-, methyl ester, sulfate, Corynan-16-carboxylic acid, 18,19-didehydro-17-hydroxy-, methyl ester, (16R)-, sulfate (2:1) (salt), methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate; sulfuric acid, Sulfuric acid--methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate (1/2)
| Molecular Formula | C42H54N4O10S |
|---|---|
| Molecular Weight | 806.36 g/mol |
| LogP | 4.6886 |
| Topological Polar Surface Area | 205.72 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 806.3561 |
| Heavy Atoms | 57 |
| Complexity | 2036.6914 |
Chemical Identifiers
| CAS Number | 66634-25-1 |
|---|---|
| SMILES | COC(=O)[C@@H](CO)[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3.COC(=O)[C@@H](CO)[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3.OS(=O)(=O)O |
Product Overview
Sitsirikine sulfate (CAS 66634-25-1), with molecular formula C42H54N4O10S and molecular weight 806.36 g/mol. IUPAC: bis(methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate);sulfuric acid.
Chemical Property Profile of Sitsirikine sulfate
Property Insights of Sitsirikine sulfate
The XLogP value of 4.6886 indicates that Sitsirikine sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.72 Ų indicates high polarity, suggesting Sitsirikine sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sitsirikine sulfate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitsirikine sulfate?
The CAS number of Sitsirikine sulfate is 66634-25-1.
What is the molecular formula of Sitsirikine sulfate?
The molecular formula of Sitsirikine sulfate is C42H54N4O10S.
What is the molecular weight of Sitsirikine sulfate?
The molecular weight of Sitsirikine sulfate is 806.36 g/mol.
Where can I buy Sitsirikine sulfate?
You can request a quote for Sitsirikine sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitsirikine sulfate?
Yes, KEHONG BIO provides custom synthesis services for Sitsirikine sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.