![[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate structure](/static/products/860/860788-05-2.png)
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate
TL;DR: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate (CAS 860788-05-2) is a chemical compound with molecular formula C28H22F4N2O5S and molecular weight 574.12 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] 3-methoxybenzoate
Also Known As: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate, 1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-3-{2,2,2-trifluoro[(3-methoxybenzoyl)oxy]ethanimidoyl}-1H-pyrrole
| Molecular Formula | C28H22F4N2O5S |
|---|---|
| Molecular Weight | 574.12 g/mol |
| LogP | 6.12732 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.1185 |
| Heavy Atoms | 40 |
| Complexity | 1692.215 |
Chemical Identifiers
| CAS Number | 860788-05-2 |
|---|---|
| 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)OC)C(F)(F)F |
Product Overview
[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate (CAS 860788-05-2), with molecular formula C28H22F4N2O5S and molecular weight 574.12 g/mol. IUPAC: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate.
Chemical Property Profile of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate
Property Insights of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate
The XLogP value of 6.12732 indicates that [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.96 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] 3-methoxybenzoate. Following Lipinski's Rule of Five, [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate has 0 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 [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate?
The CAS number of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate is 860788-05-2.
What is the molecular formula of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate?
The molecular formula of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate is C28H22F4N2O5S.
What is the molecular weight of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate?
The molecular weight of [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate is 574.12 g/mol.
Where can I buy [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate?
You can request a quote for [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 3-methoxybenzoate 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] 3-methoxybenzoate?
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] 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.