![(1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one structure](/static/products/827/827004-52-4.png)
(1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
TL;DR: (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one (CAS 827004-52-4) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylimino)-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
Also Known As: (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, 1-(benzo[d][1,3]dioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-2(4H)-one
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.1771 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 1041.0725 |
Chemical Identifiers
| CAS Number | 827004-52-4 |
|---|---|
| SMILES | CC1CC(N2C3=C1C=C(C=C3C(=NC4=CC5=C(C=C4)OCO5)C2=O)OC)(C)C |
Product Overview
(1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one (CAS 827004-52-4), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylimino)-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
Chemical Property Profile of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Property Insights of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
The XLogP value of 4.1771 indicates that (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one. Following Lipinski's Rule of Five, (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one has 0 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 (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
The CAS number of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 827004-52-4.
What is the molecular formula of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
The molecular formula of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is C22H22N2O4.
What is the molecular weight of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
The molecular weight of (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 378.16 g/mol.
Where can I buy (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
You can request a quote for (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-(1,3-benzodioxol-5-ylimino)-8-methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.