(E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate
TL;DR: (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate (CAS 36164-36-0) is a chemical compound with molecular formula C17H17Cl2NO2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-3-[(E)-3-chlorobut-2-enyl]-2-methylquinoline-6-carboxylate
Also Known As: ethyl 4-chloro-3-[(E)-3-chlorobut-2-enyl]-2-methylquinoline-6-carboxylate, (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate
| Molecular Formula | C17H17Cl2NO2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 5.05842 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.06363 |
| Heavy Atoms | 22 |
| Complexity | 749.89764 |
Chemical Identifiers
| CAS Number | 36164-36-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=C(N=C2C=C1)C)C/C=C(\C)/Cl)Cl |
Product Overview
(E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate (CAS 36164-36-0), with molecular formula C17H17Cl2NO2 and molecular weight 337.06 g/mol. IUPAC: ethyl 4-chloro-3-[(E)-3-chlorobut-2-enyl]-2-methylquinoline-6-carboxylate.
Chemical Property Profile of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate
Property Insights of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate
The XLogP value of 5.05842 indicates that (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-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 39.19 Ų, (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate?
The CAS number of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate is 36164-36-0.
What is the molecular formula of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate?
The molecular formula of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate is C17H17Cl2NO2.
What is the molecular weight of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate?
The molecular weight of (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate is 337.06 g/mol.
Where can I buy (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate?
You can request a quote for (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-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 (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-chloro-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.