![ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate structure](/static/products/361/36164-34-8.png)
ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate
TL;DR: ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate (CAS 36164-34-8) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(E)-3-chlorobut-2-enyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
Also Known As: ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate, (E)-ethyl 3-(3-chlorobut-2-en-1-yl)-4-hydroxy-2-methylquinoline-6-carboxylate, ethyl 3-[(E)-3-chlorobut-2-enyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
| Molecular Formula | C17H18ClNO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.09753 |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 36164-34-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C/C=C(\C)/Cl)C |
| InChIKey | AMBUUNLKSLJLMQ-BJMVGYQFSA-N |
Product Overview
ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate (CAS 36164-34-8), with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol. IUPAC: ethyl 3-[(E)-3-chlorobut-2-enyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate.
Chemical Property Profile of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate
Property Insights of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate
The XLogP value of 3.9 indicates that ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-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
Frequently Asked Questions
What is the CAS number of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate?
The CAS number of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate is 36164-34-8.
What is the molecular formula of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate?
The molecular formula of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate is C17H18ClNO3.
What is the molecular weight of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate?
The molecular weight of ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate is 319.10 g/mol.
Where can I buy ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate?
You can request a quote for ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.