![ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/3029/302948-66-9.webp)
ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 302948-66-9) is a chemical compound with molecular formula C22H20BrNO5S and molecular weight 489.02 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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(6-bromo-2-oxo-2H-chromene-3-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(6-bromo-2-oxochromen-3-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylate, ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H20BrNO5S |
|---|---|
| Molecular Weight | 489.02 g/mol |
| LogP | 5.1708 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.02457 |
| Heavy Atoms | 30 |
| Complexity | 1212.1936 |
Chemical Identifiers
| CAS Number | 302948-66-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 302948-66-9), with molecular formula C22H20BrNO5S and molecular weight 489.02 g/mol. IUPAC: ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.1708 indicates that ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 302948-66-9.
What is the molecular formula of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C22H20BrNO5S.
What is the molecular weight of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 489.02 g/mol.
Where can I buy ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.