methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate
TL;DR: methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate (CAS 1004644-29-4) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-ethylpyrazol-4-yl)quinoline-4-carboxylate
Also Known As: methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate, methyl 2-(1-ethylpyrazol-4-yl)quinoline-4-carboxylate, methyl2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate, METHYL 2-(1-ETHYL-1H-PYRAZOL-4-YL)-4-QUINOLINECARBOXYLATE, 2-(1-Ethyl-1 H -pyrazol-4-yl)-quinoline-4-carboxylic acid methyl ester
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.9048 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 808.1422 |
Chemical Identifiers
| CAS Number | 1004644-29-4 |
|---|---|
| SMILES | CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC |
Product Overview
methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate (CAS 1004644-29-4), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: methyl 2-(1-ethylpyrazol-4-yl)quinoline-4-carboxylate.
Chemical Property Profile of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate
Property Insights of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate
The XLogP value of 2.9048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate?
The CAS number of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate is 1004644-29-4.
What is the molecular formula of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate?
The molecular formula of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate is C16H15N3O2.
What is the molecular weight of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate?
The molecular weight of methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate is 281.12 g/mol.
Where can I buy methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate?
You can request a quote for methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.