Sitsirikine
TL;DR: Sitsirikine (CAS 1245-00-7) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
Also Known As: Sitsirikine, 16R-sitsirikine, sitsirikin, HY-N1236, (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.6707 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 827.77057 |
Chemical Identifiers
| CAS Number | 1245-00-7 |
|---|---|
| SMILES | COC(=O)[C@@H](CO)[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3 |
Product Overview
Sitsirikine (CAS 1245-00-7), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: 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.
Chemical Property Profile of Sitsirikine
Property Insights of Sitsirikine
The XLogP value of 2.6707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitsirikine. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitsirikine. Following Lipinski's Rule of Five, Sitsirikine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitsirikine?
The CAS number of Sitsirikine is 1245-00-7.
What is the molecular formula of Sitsirikine?
The molecular formula of Sitsirikine is C21H26N2O3.
What is the molecular weight of Sitsirikine?
The molecular weight of Sitsirikine is 354.19 g/mol.
Where can I buy Sitsirikine?
You can request a quote for Sitsirikine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitsirikine?
Yes, KEHONG BIO provides custom synthesis services for Sitsirikine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.