![ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate structure](/static/products/5151/515121-02-5.webp)
ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
TL;DR: ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 515121-02-5) is a chemical compound with molecular formula C27H23Cl2N3O5S and molecular weight 571.07 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]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate, ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, ethyl 2-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, ethyl 2-{[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}-4-methyl -5-[N-(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C27H23Cl2N3O5S |
|---|---|
| Molecular Weight | 571.07 g/mol |
| LogP | 7.31646 |
| Topological Polar Surface Area | 110.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.07355 |
| Heavy Atoms | 38 |
| Complexity | 1540.0309 |
Chemical Identifiers
| CAS Number | 515121-02-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C |
Product Overview
ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 515121-02-5), with molecular formula C27H23Cl2N3O5S and molecular weight 571.07 g/mol. IUPAC: ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
Property Insights of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
The XLogP value of 7.31646 indicates that ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 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-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
The CAS number of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is 515121-02-5.
What is the molecular formula of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular formula of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is C27H23Cl2N3O5S.
What is the molecular weight of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular weight of ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is 571.07 g/mol.
Where can I buy ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
You can request a quote for ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-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-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.