![dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate structure](/static/products/7745/774560-00-8.webp)
dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate
TL;DR: dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate (CAS 774560-00-8) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-ylidene)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate, (E)-dimethyl 5-((2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)amino)isophthalate
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.6734 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 1006.8366 |
Chemical Identifiers
| CAS Number | 774560-00-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N=C2C3=CC=CC4=C3N(C2=O)CCC4)C(=O)OC |
Product Overview
dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate (CAS 774560-00-8), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: dimethyl 5-[(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-ylidene)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate
Property Insights of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate
The XLogP value of 2.6734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate has 0 hydrogen bond donor(s) and 6 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 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate?
The CAS number of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate is 774560-00-8.
What is the molecular formula of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate?
The molecular formula of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate is C21H18N2O5.
What is the molecular weight of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate?
The molecular weight of dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate is 378.12 g/mol.
Where can I buy dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate?
You can request a quote for dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-{[(1E)-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]amino}benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.