1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester
TL;DR: 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester (CAS 94154-45-7) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 2-methyl-1-phenyl-2-(1h-1,2,4-triazol-1-yl)propan-1-one, 2-methyl-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one, 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester, alpha-(1,2,4-triazol-1-yl)-isobutyrophenone, ethyl 6-methoxy-2-oxo-1H-quinoline-4-carboxylate
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 94154-45-7 |
|---|---|
| SMILES | CC(C)(C(=O)C1=CC=CC=C1)N2C=NC=N2 |
| InChIKey | BHEFYJRYJYFQDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester (CAS 94154-45-7), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: 2-methyl-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one.
Chemical Property Profile of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester
Property Insights of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 47.8 Ų, 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester?
The CAS number of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester is 94154-45-7.
What is the molecular formula of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester?
The molecular formula of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester is C12H13N3O.
What is the molecular weight of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester?
The molecular weight of 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester is 215.11 g/mol.
Where can I buy 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester?
You can request a quote for 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Quinoline-4-carboxylic acid, 6-methoxy-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.