![Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate structure](/static/products/6888/6888-03-5.webp)
Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate
TL;DR: Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate (CAS 6888-03-5) is a chemical compound with molecular formula C21H17Cl3N2O4 and molecular weight 466.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[3-chloro-4-(3,5-dichloroanilino)-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate, butyl 4-[3-chloro-4-(3,5-dichloroanilino)-2,5-dioxopyrrol-1-yl]benzoate, Butyl 4-[3-chloro-4-(3,5-dichloroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
| Molecular Formula | C21H17Cl3N2O4 |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 5.386 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.0254 |
| Heavy Atoms | 30 |
| Complexity | 1014.79706 |
Chemical Identifiers
| CAS Number | 6888-03-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC(=C3)Cl)Cl |
Product Overview
Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate (CAS 6888-03-5), with molecular formula C21H17Cl3N2O4 and molecular weight 466.03 g/mol. IUPAC: butyl 4-[3-chloro-4-(3,5-dichloroanilino)-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate
Property Insights of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate
The XLogP value of 5.386 indicates that Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate has 1 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 Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate?
The CAS number of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate is 6888-03-5.
What is the molecular formula of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate?
The molecular formula of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate is C21H17Cl3N2O4.
What is the molecular weight of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate?
The molecular weight of Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate is 466.03 g/mol.
Where can I buy Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate?
You can request a quote for Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[3-chloro-4-[(3,5-dichlorophenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.