Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate
TL;DR: Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate (CAS 216502-07-7) is a chemical compound with molecular formula C15H13Cl2NO4S and molecular weight 372.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]sulfanylacetate
Also Known As: Maybridge1_000246, Ethyl 2-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]thio]acetate, Ethyl {[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]sulfanyl}acetate, Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate, ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]sulfanylacetate
| Molecular Formula | C15H13Cl2NO4S |
|---|---|
| Molecular Weight | 372.99 g/mol |
| LogP | 4.39332 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.99423 |
| Heavy Atoms | 23 |
| Complexity | 724.82324 |
Chemical Identifiers
| CAS Number | 216502-07-7 |
|---|---|
| SMILES | CCOC(=O)CSC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C |
Product Overview
Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate (CAS 216502-07-7), with molecular formula C15H13Cl2NO4S and molecular weight 372.99 g/mol. IUPAC: ethyl 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate
Property Insights of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate
The XLogP value of 4.39332 indicates that Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate has 0 hydrogen bond donor(s) and 6 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 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate?
The CAS number of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate is 216502-07-7.
What is the molecular formula of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate?
The molecular formula of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate is C15H13Cl2NO4S.
What is the molecular weight of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate?
The molecular weight of Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate is 372.99 g/mol.
Where can I buy Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate?
You can request a quote for Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.