![7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione structure](/static/products/807/80721-47-7.png)
7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione
TL;DR: 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione (CAS 80721-47-7) is a chemical compound with molecular formula C18H14N2O8 and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 7-O,9-O-dimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
Also Known As: 7,9-DIMETHOXYCARBONYL-2-ETHOXYCARBONYL-1H-PYRROLO-[2,3-F]QUINOLINE-4,5-DIONE, Pyrroloquinoline quinone Impurity 1, 2-O-ethyl 7-O,9-O-dimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate, 4,5-Dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid 2-ethyl 7,9-dimethyl ester, O2-ethyl O7,O9-dimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
| Molecular Formula | C18H14N2O8 |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.075 |
| Heavy Atoms | 28 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 80721-47-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C3=C(C(=O)C2=O)N=C(C=C3C(=O)OC)C(=O)OC |
| InChIKey | YYWXAGSZHNRGHM-UHFFFAOYSA-N |
Product Overview
7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione (CAS 80721-47-7), with molecular formula C18H14N2O8 and molecular weight 386.07 g/mol. IUPAC: 2-O-ethyl 7-O,9-O-dimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate.
Chemical Property Profile of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione
Property Insights of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione. The TPSA of 142.0 Ų indicates high polarity, suggesting 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione has 1 hydrogen bond donor(s) and 9 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 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione?
The CAS number of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione is 80721-47-7.
What is the molecular formula of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione?
The molecular formula of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione is C18H14N2O8.
What is the molecular weight of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione?
The molecular weight of 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione is 386.07 g/mol.
Where can I buy 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione?
You can request a quote for 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-1H-pyrrolo-[2,3-F]quinoline-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.