![(6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione structure](/static/products/531/531500-47-7.png)
(6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione
TL;DR: (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione (CAS 531500-47-7) is a chemical compound with molecular formula C22H17N3O5 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,17S)-17-(1,3-benzodioxol-5-yl)-13-methyl-2,13,16-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7-tetraene-9,12,15-trione
Also Known As: (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione, (6S,?12bS)?-6-?(1,?3-?Benzodioxol-?5-?yl)?-?2,?3,?7,?12b-?tetrahydro-?2-?methyl-?pyrazino[1',?2':1,?5]?pyrrolo[3,?4-?b]?quinoline-?1,?4,?12(6H)?-?trione, (6S,12bS)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3-dihydropyrazino[1',2':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H,7H,12bH)-trione
| Molecular Formula | C22H17N3O5 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 1.7015 |
| Topological Polar Surface Area | 91.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.11682 |
| Heavy Atoms | 30 |
| Complexity | 1313.8611 |
Chemical Identifiers
| CAS Number | 531500-47-7 |
|---|---|
| SMILES | CN1CC(=O)N2[C@H](C3=C([C@H]2C1=O)C(=O)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6 |
Product Overview
(6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione (CAS 531500-47-7), with molecular formula C22H17N3O5 and molecular weight 403.12 g/mol. IUPAC: (11S,17S)-17-(1,3-benzodioxol-5-yl)-13-methyl-2,13,16-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7-tetraene-9,12,15-trione.
Chemical Property Profile of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione
Property Insights of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione
The XLogP value of 1.7015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione. The TPSA of 91.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione. Following Lipinski's Rule of Five, (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione has 1 hydrogen bond donor(s) and 5 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 (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione?
The CAS number of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione is 531500-47-7.
What is the molecular formula of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione?
The molecular formula of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione is C22H17N3O5.
What is the molecular weight of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione?
The molecular weight of (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione is 403.12 g/mol.
Where can I buy (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione?
You can request a quote for (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (6S,12bS)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-methyl-pyrazino[1'',2'':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.