![2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/828/828288-07-9.png)
2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 828288-07-9) is a chemical compound with molecular formula C18H16BrF2NO6S and molecular weight 490.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-methyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-methyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate, 2-ETHYL 4-METHYL 5-{[5-BROMO-2-(DIFLUOROMETHOXY)BENZOYL]AMINO}-3-METHYL-2,4-THIOPHENEDICARBOXYLATE, 2-O-ethyl 4-O-methyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate, Methyl Ethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate
| Molecular Formula | C18H16BrF2NO6S |
|---|---|
| Molecular Weight | 490.99 g/mol |
| LogP | 4.63602 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.985 |
| Heavy Atoms | 29 |
| Complexity | 946.6728 |
Chemical Identifiers
| CAS Number | 828288-07-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Br)OC(F)F)C(=O)OC)C |
Product Overview
2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 828288-07-9), with molecular formula C18H16BrF2NO6S and molecular weight 490.99 g/mol. IUPAC: 2-O-ethyl 4-O-methyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.63602 indicates that 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate has 1 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 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate is 828288-07-9.
What is the molecular formula of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate is C18H16BrF2NO6S.
What is the molecular weight of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate is 490.99 g/mol.
Where can I buy 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl 4-methyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.