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Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate
TL;DR: Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate (CAS 54313-62-1) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate
Also Known As: diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate, diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1, Diethyl 9-oxo-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazoline-1,1(2H)-dicarboxylate
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 54313-62-1 |
|---|---|
| SMILES | CCOC(=O)C1(CCC2N1C(=O)C3=CC=CC=C3N2)C(=O)OCC |
| InChIKey | IPRNKRVQZMQAIA-UHFFFAOYSA-N |
Product Overview
Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate (CAS 54313-62-1), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate
Property Insights of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate has 1 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 Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate?
The CAS number of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate is 54313-62-1.
What is the molecular formula of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate?
The molecular formula of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate is C17H20N2O5.
What is the molecular weight of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate?
The molecular weight of Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate is 332.14 g/mol.
Where can I buy Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate?
You can request a quote for Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 9-oxo-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.