![ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate structure](/static/products/4449/444937-97-7.webp)
ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate (CAS 444937-97-7) is a chemical compound with molecular formula C19H18Br2FNO3S and molecular weight 516.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate, ethyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, ethyl 2-(2,2-dibromo-1-methylcyclopropanecarboxamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C19H18Br2FNO3S |
|---|---|
| Molecular Weight | 516.94 g/mol |
| LogP | 5.87392 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.9358 |
| Heavy Atoms | 27 |
| Complexity | 910.42377 |
Chemical Identifiers
| CAS Number | 444937-97-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3(CC3(Br)Br)C |
Product Overview
ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate (CAS 444937-97-7), with molecular formula C19H18Br2FNO3S and molecular weight 516.94 g/mol. IUPAC: ethyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 5.87392 indicates that ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate 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 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 4 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-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is 444937-97-7.
What is the molecular formula of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is C19H18Br2FNO3S.
What is the molecular weight of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is 516.94 g/mol.
Where can I buy ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-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-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.