![methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate structure](/static/products/5523/5523-37-5.webp)
methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
TL;DR: methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate (CAS 5523-37-5) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Also Known As: (15S,16E)-16,17,20,21-Tetradehydro-16-formyl-18,19-secoyohimban-19-oic acid methyl ester, METHYL (2S,12BS)-2-[(2Z)-1-OXOBUT-2-EN-2-YL]-1H,2H,6H,7H,12H,12BH-INDOLO[2,3-A]QUINOLIZINE-3-CARBOXYLATE
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 5523-37-5 |
|---|---|
| SMILES | CC=C(C=O)[C@@H]1C[C@H]2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3 |
| InChIKey | NTVLUSJWJRSPSM-LPHOPBHVSA-N |
Product Overview
methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate (CAS 5523-37-5), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate.
Chemical Property Profile of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Property Insights of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate. Following Lipinski's Rule of Five, methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate has 1 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 methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate?
The CAS number of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate is 5523-37-5.
What is the molecular formula of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate?
The molecular formula of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate is C21H22N2O3.
What is the molecular weight of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate?
The molecular weight of methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate is 350.16 g/mol.
Where can I buy methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate?
You can request a quote for methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.