![(3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate structure](/static/products/6906/6906-63-4.webp)
(3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
TL;DR: (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 6906-63-4) is a chemical compound with molecular formula C27H22Cl2N2O4 and molecular weight 508.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate, 3-(Propan-2-yl)phenyl 4-{[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate
| Molecular Formula | C27H22Cl2N2O4 |
|---|---|
| Molecular Weight | 508.10 g/mol |
| LogP | 6.42672 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.09567 |
| Heavy Atoms | 35 |
| Complexity | 1363.8491 |
Chemical Identifiers
| CAS Number | 6906-63-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)OC4=CC=CC(=C4)C(C)C |
Product Overview
(3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 6906-63-4), with molecular formula C27H22Cl2N2O4 and molecular weight 508.10 g/mol. IUPAC: (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Property Insights of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
The XLogP value of 6.42672 indicates that (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]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 (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate. Following Lipinski's Rule of Five, (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]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 (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The CAS number of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 6906-63-4.
What is the molecular formula of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular formula of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is C27H22Cl2N2O4.
What is the molecular weight of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular weight of (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 508.10 g/mol.
Where can I buy (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
You can request a quote for (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-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 (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-propan-2-ylphenyl) 4-[[4-chloro-1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.