![Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate structure](/static/products/4382/438218-21-4.webp)
Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 438218-21-4) is a chemical compound with molecular formula C26H22BrNO5S and molecular weight 539.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
Also Known As: Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate, ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate, ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate, ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate, ethyl 4-(2,5-dimethylphenyl)-2-[(6-bromo-2-oxochromen-3-yl)carbonylamino]-5-me thylthiophene-3-carboxylate
| Molecular Formula | C26H22BrNO5S |
|---|---|
| Molecular Weight | 539.04 g/mol |
| LogP | 6.63826 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.0402 |
| Heavy Atoms | 34 |
| Complexity | 1501.3412 |
Chemical Identifiers
| CAS Number | 438218-21-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=C(C=CC(=C2)C)C)C)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 438218-21-4), with molecular formula C26H22BrNO5S and molecular weight 539.04 g/mol. IUPAC: ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 6.63826 indicates that Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-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-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is 438218-21-4.
What is the molecular formula of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is C26H22BrNO5S.
What is the molecular weight of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is 539.04 g/mol.
Where can I buy Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-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-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.