Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
TL;DR: Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate (CAS 113855-37-1) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate
Also Known As: TimTec1_001191, NCIOpen2_007278, methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate, 1,2,3,4-Tetrahydro-4-oxobenzo
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.0739 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 Da |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
| SMILES | COC(=O)C1CNC2=CC=CC=C2C1=O |
| InChIKey | DYVLGTBJVDIEKC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
Property Insights of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The CAS number of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate is 113855-37-1.
What is the molecular formula of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The molecular formula of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate is C11H11NO3.
What is the molecular weight of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The molecular weight of Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate is 205.0739 g/mol.
Where can I buy Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate?
You can request a quote for Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.