![ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate structure](/static/products/4450/445013-05-8.webp)
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
TL;DR: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate (CAS 445013-05-8) is a chemical compound with molecular formula C19H16ClFN2O4S and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate, ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-methylthiophene-3-carboxylate, ETHYL 2-[3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-AMIDO]-5-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-5-methylthiophene-3-carboxylate, ethyl 2-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-5-methylthiophene-3-carboxylate
| Molecular Formula | C19H16ClFN2O4S |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 5.24144 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.05032 |
| Heavy Atoms | 28 |
| Complexity | 1040.1335 |
Chemical Identifiers
| CAS Number | 445013-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C |
Product Overview
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate (CAS 445013-05-8), with molecular formula C19H16ClFN2O4S and molecular weight 422.05 g/mol. IUPAC: ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
Property Insights of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
The XLogP value of 5.24144 indicates that ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate is 445013-05-8.
What is the molecular formula of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate is C19H16ClFN2O4S.
What is the molecular weight of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate is 422.05 g/mol.
Where can I buy ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate 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-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.