![[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate structure](/static/products/4778/477868-46-5.webp)
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate
TL;DR: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate (CAS 477868-46-5) is a chemical compound with molecular formula C27H20F4N2O4S and molecular weight 544.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate
Also Known As: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate, 3-[(benzoyloxy)-2,2,2-trifluoroethanimidoyl]-1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole
| Molecular Formula | C27H20F4N2O4S |
|---|---|
| Molecular Weight | 544.11 g/mol |
| LogP | 6.11872 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.108 |
| Heavy Atoms | 38 |
| Complexity | 1608.7958 |
Chemical Identifiers
| CAS Number | 477868-46-5 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=NOC(=O)C4=CC=CC=C4)C(F)(F)F |
Product Overview
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate (CAS 477868-46-5), with molecular formula C27H20F4N2O4S and molecular weight 544.11 g/mol. IUPAC: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate.
Chemical Property Profile of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate
Property Insights of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate
The XLogP value of 6.11872 indicates that [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate. Following Lipinski's Rule of Five, [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate has 0 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 [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate?
The CAS number of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate is 477868-46-5.
What is the molecular formula of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate?
The molecular formula of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate is C27H20F4N2O4S.
What is the molecular weight of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate?
The molecular weight of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate is 544.11 g/mol.
Where can I buy [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate?
You can request a quote for [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.