Epiisositsirikine
TL;DR: Epiisositsirikine (CAS 60031-91-6) 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 (2S)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Also Known As: Epiisositsirikine, 16-epi-E-isositsirikine, 16-epi-19E-Isositsirikine, J3.677.740K, (16S,19E)-19,20-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.8148 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 854.0583 |
Chemical Identifiers
| CAS Number | 60031-91-6 |
|---|---|
| SMILES | C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC)NC4=CC=CC=C34 |
Product Overview
Epiisositsirikine (CAS 60031-91-6), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (2S)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate.
Chemical Property Profile of Epiisositsirikine
Property Insights of Epiisositsirikine
The XLogP value of 2.8148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epiisositsirikine. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Epiisositsirikine. Following Lipinski's Rule of Five, Epiisositsirikine 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 Epiisositsirikine?
The CAS number of Epiisositsirikine is 60031-91-6.
What is the molecular formula of Epiisositsirikine?
The molecular formula of Epiisositsirikine is C21H26N2O3.
What is the molecular weight of Epiisositsirikine?
The molecular weight of Epiisositsirikine is 354.19 g/mol.
Where can I buy Epiisositsirikine?
You can request a quote for Epiisositsirikine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epiisositsirikine?
Yes, KEHONG BIO provides custom synthesis services for Epiisositsirikine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.