![11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one structure](/static/products/381/381189-56-6.webp)
11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
TL;DR: 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 381189-56-6) is a chemical compound with molecular formula C25H23N5O4 and molecular weight 457.17502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-(1,3-benzodioxol-5-ylmethyl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 11-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Technical Specifications
| Molecular Formula | C25H23N5O4 |
| Molecular Weight | 457.17502 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.17502 Da |
| Heavy Atoms | 34 |
| Complexity | 795.0 |
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)C(=O)N1CCCOC |
| InChIKey | DHNUYQQTPSAYSW-UHFFFAOYSA-N |
Chemical Property Profile of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Property Insights of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. Following Lipinski's Rule of Five, 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one 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
What is the CAS number of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The CAS number of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 381189-56-6.
What is the molecular formula of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular formula of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is C25H23N5O4.
What is the molecular weight of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular weight of 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 457.17502 g/mol.
Where can I buy 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
You can request a quote for 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
Yes, CoreyChem provides custom synthesis services for 11-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.