![ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate structure](/static/products/799/799806-89-6.png)
ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate
TL;DR: ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate (CAS 799806-89-6) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(3-(5-methyl-3-phenylisoxazole-4-carbonyl)thioureido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C21H21N3O4S2 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 4.63186 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.09735 |
| Heavy Atoms | 30 |
| Complexity | 1103.157 |
Chemical Identifiers
| CAS Number | 799806-89-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C |
Product Overview
ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate (CAS 799806-89-6), with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate
Property Insights of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate
The XLogP value of 4.63186 indicates that ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate?
The CAS number of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate is 799806-89-6.
What is the molecular formula of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate?
The molecular formula of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate is C21H21N3O4S2.
What is the molecular weight of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate?
The molecular weight of ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate is 443.10 g/mol.
Where can I buy ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate?
You can request a quote for ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,5-dimethyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.