3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol
TL;DR: 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol (CAS 107057-38-5) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
Also Known As: 3-(3-chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol, (E)-3-(3-chlorobut-2-en-1-yl)-6-ethoxy-2-methylquinolin-4-ol, 3-[(E)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 107057-38-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(=C(C2=O)C/C=C(\C)/Cl)C |
| InChIKey | KWBDSSZRLYZHHI-BJMVGYQFSA-N |
Product Overview
3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol (CAS 107057-38-5), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: 3-[(E)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-1H-quinolin-4-one.
Chemical Property Profile of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol
Property Insights of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol
The XLogP value of 4.0 indicates that 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol 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 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol?
The CAS number of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol is 107057-38-5.
What is the molecular formula of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol?
The molecular formula of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol is C16H18ClNO2.
What is the molecular weight of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol?
The molecular weight of 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol is 291.10 g/mol.
Where can I buy 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol?
You can request a quote for 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-2-butenyl)-6-ethoxy-2-methyl-4-quinolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.