![4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate structure](/static/products/6904/6904-90-1.webp)
4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate
TL;DR: 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate (CAS 6904-90-1) is a chemical compound with molecular formula C18H8Cl2F3N2O4- and molecular weight 442.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate, 4-[[4-chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-pyrrol-3-yl]amino]benzoate, 4-[[4-chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxopyrrol-3-yl]amino]benzoate
| Molecular Formula | C18H8Cl2F3N2O4- |
|---|---|
| Molecular Weight | 442.98 g/mol |
| LogP | 3.158 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.98132 |
| Heavy Atoms | 29 |
| Complexity | 1065.7661 |
Chemical Identifiers
| CAS Number | 6904-90-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])NC2=C(C(=O)N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)Cl |
Product Overview
4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate (CAS 6904-90-1), with molecular formula C18H8Cl2F3N2O4- and molecular weight 442.98 g/mol. IUPAC: 4-[[4-chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate
Property Insights of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate
The XLogP value of 3.158 indicates that 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate. Following Lipinski's Rule of Five, 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate?
The CAS number of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate is 6904-90-1.
What is the molecular formula of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate?
The molecular formula of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate is C18H8Cl2F3N2O4-.
What is the molecular weight of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate?
The molecular weight of 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate is 442.98 g/mol.
Where can I buy 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate?
You can request a quote for 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-({4-Chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.