(16R)-E-Isositsirikine
TL;DR: (16R)-E-Isositsirikine (CAS 6519-27-3) 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-[(2R,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Also Known As: (16R)-E-Isositsirikine
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 6519-27-3 |
|---|---|
| SMILES | CC=C1CN2CCC3=C([C@@H]2C[C@@H]1[C@H](CO)C(=O)OC)NC4=CC=CC=C34 |
| InChIKey | RGXKJLTVROJBKZ-LNLFQRSKSA-N |
Product Overview
(16R)-E-Isositsirikine (CAS 6519-27-3), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (2R)-2-[(2R,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate.
Chemical Property Profile of (16R)-E-Isositsirikine
Property Insights of (16R)-E-Isositsirikine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (16R)-E-Isositsirikine. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (16R)-E-Isositsirikine. Following Lipinski's Rule of Five, (16R)-E-Isositsirikine 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 (16R)-E-Isositsirikine?
The CAS number of (16R)-E-Isositsirikine is 6519-27-3.
What is the molecular formula of (16R)-E-Isositsirikine?
The molecular formula of (16R)-E-Isositsirikine is C21H26N2O3.
What is the molecular weight of (16R)-E-Isositsirikine?
The molecular weight of (16R)-E-Isositsirikine is 354.19 g/mol.
Where can I buy (16R)-E-Isositsirikine?
You can request a quote for (16R)-E-Isositsirikine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (16R)-E-Isositsirikine?
Yes, KEHONG BIO provides custom synthesis services for (16R)-E-Isositsirikine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.