dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
TL;DR: dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate (CAS 71622-26-9) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
Also Known As: dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate, dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a], Dimethyl 1,3,4,6,7,12b-hexahydro-2H,10H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3-dicarboxylate
| Molecular Formula | C18H21NO6 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1369 |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 71622-26-9 |
|---|---|
| SMILES | COC(=O)C1CC2C3=CC4=C(C=C3CCN2CC1C(=O)OC)OCO4 |
| InChIKey | WTXXHQSSRNBQIB-UHFFFAOYSA-N |
Product Overview
dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate (CAS 71622-26-9), with molecular formula C18H21NO6 and molecular weight 347.14 g/mol. IUPAC: dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate.
Chemical Property Profile of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
Property Insights of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate?
The CAS number of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate is 71622-26-9.
What is the molecular formula of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate?
The molecular formula of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate is C18H21NO6.
What is the molecular weight of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate?
The molecular weight of dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate is 347.14 g/mol.
Where can I buy dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate?
You can request a quote for dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.