Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate
TL;DR: Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate (CAS 284665-16-3) is a chemical compound with molecular formula C16H13ClO4S and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-4-(3-thiophen-2-ylprop-2-enoyloxy)benzoate
Also Known As: Ethyl 3-chloro-4-(3-thiophen-2-ylprop-2-enoyloxy)benzoate, Ethyl 3-chloro-4-[[1-oxo-3-(2-thienyl)-2-propen-1-yl]oxy]benzoate, Ethyl 3-chloro-4-{[3-(thiophen-2-yl)prop-2-enoyl]oxy}benzoate, Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate, RefChem:343371
| Molecular Formula | C16H13ClO4S |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 4.197 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0223 |
| Heavy Atoms | 22 |
| Complexity | 692.1763 |
Chemical Identifiers
| CAS Number | 284665-16-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)OC(=O)C=CC2=CC=CS2)Cl |
Product Overview
Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate (CAS 284665-16-3), with molecular formula C16H13ClO4S and molecular weight 336.02 g/mol. IUPAC: ethyl 3-chloro-4-(3-thiophen-2-ylprop-2-enoyloxy)benzoate.
Chemical Property Profile of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate
Property Insights of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate
The XLogP value of 4.197 indicates that Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate has 0 hydrogen bond donor(s) and 5 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-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate?
The CAS number of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate is 284665-16-3.
What is the molecular formula of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate?
The molecular formula of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate is C16H13ClO4S.
What is the molecular weight of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate?
The molecular weight of Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate is 336.02 g/mol.
Where can I buy Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate?
You can request a quote for Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.