![[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate structure](/static/products/860/860787-99-1.png)
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate
TL;DR: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate (CAS 860787-99-1) is a chemical compound with molecular formula C28H22F4N2O4S and molecular weight 558.12 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] 4-methylbenzoate
Also Known As: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate, 1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-3-{2,2,2-trifluoro[(4-methylbenzoyl)oxy]ethanimidoyl}-1H-pyrrole
| Molecular Formula | C28H22F4N2O4S |
|---|---|
| Molecular Weight | 558.12 g/mol |
| LogP | 6.42714 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.12366 |
| Heavy Atoms | 39 |
| Complexity | 1654.9683 |
Chemical Identifiers
| CAS Number | 860787-99-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)ON=C(C2=C(N(C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)C)C(F)(F)F |
Product Overview
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate (CAS 860787-99-1), with molecular formula C28H22F4N2O4S and molecular weight 558.12 g/mol. IUPAC: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate.
Chemical Property Profile of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate
Property Insights of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate
The XLogP value of 6.42714 indicates that [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate 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] 4-methylbenzoate. Following Lipinski's Rule of Five, [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate 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] 4-methylbenzoate?
The CAS number of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate is 860787-99-1.
What is the molecular formula of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate?
The molecular formula of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate is C28H22F4N2O4S.
What is the molecular weight of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate?
The molecular weight of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate is 558.12 g/mol.
Where can I buy [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate?
You can request a quote for [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 4-methylbenzoate 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] 4-methylbenzoate?
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] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.