Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate
TL;DR: Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate (CAS 374700-68-2) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-oxo-3-prop-2-enyl-1H-quinoline-6-carboxylate
Also Known As: BAS 00333822, BIM-0013796.P001, ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate, ethyl 3-allyl-4-hydroxy-2-methylquinoline-6-carboxylate, ethyl 2-methyl-4-oxo-3-prop-2-enyl-1H-quinoline-6-carboxylate
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.74172 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 728.31476 |
Chemical Identifiers
| CAS Number | 374700-68-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CC=C)C |
Product Overview
Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate (CAS 374700-68-2), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: ethyl 2-methyl-4-oxo-3-prop-2-enyl-1H-quinoline-6-carboxylate.
Chemical Property Profile of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate
Property Insights of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate
The XLogP value of 2.74172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate has 1 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 Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate?
The CAS number of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate is 374700-68-2.
What is the molecular formula of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate?
The molecular formula of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate is C16H17NO3.
What is the molecular weight of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate?
The molecular weight of Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate is 271.12 g/mol.
Where can I buy Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate?
You can request a quote for Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.