![ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate structure](/static/products/4450/445025-57-0.webp)
ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate
TL;DR: ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate (CAS 445025-57-0) is a chemical compound with molecular formula C23H22BrNO3S2 and molecular weight 503.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate, ethyl 4-(3-bromophenyl)-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate, ethyl 4-(3-bromophenyl)-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}thiophene-3-carboxylate, ethyl 4-(3-bromophenyl)-2-(6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)thiophene-3-carboxylate, ethyl 4-(3-bromophenyl)-2-[(6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)) carbonylamino]thiophene-3-carboxylate
| Molecular Formula | C23H22BrNO3S2 |
|---|---|
| Molecular Weight | 503.02 g/mol |
| LogP | 6.7929 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.02246 |
| Heavy Atoms | 30 |
| Complexity | 1101.8159 |
Chemical Identifiers
| CAS Number | 445025-57-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)Br)NC(=O)C3=CSC4=C3CCC(C4)C |
Product Overview
ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate (CAS 445025-57-0), with molecular formula C23H22BrNO3S2 and molecular weight 503.02 g/mol. IUPAC: ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate
Property Insights of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate
The XLogP value of 6.7929 indicates that ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate?
The CAS number of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate is 445025-57-0.
What is the molecular formula of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate?
The molecular formula of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate is C23H22BrNO3S2.
What is the molecular weight of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate?
The molecular weight of ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate is 503.02 g/mol.
Where can I buy ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate?
You can request a quote for ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)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-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-bromophenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.