![4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide structure](/static/products/6846/6846-47-5.webp)
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide
TL;DR: 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide (CAS 6846-47-5) is a chemical compound with molecular formula C26H22ClN3O3 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide
Also Known As: 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide, 4-[[(1-benzyl-4-chloro-2,5-dioxo-pyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide, 4-{[(1-Benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]methyl}-N-(3-methylphenyl)benzamide
| Molecular Formula | C26H22ClN3O3 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.35632 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.13498 |
| Heavy Atoms | 33 |
| Complexity | 1237.1516 |
Chemical Identifiers
| CAS Number | 6846-47-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl |
Product Overview
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide (CAS 6846-47-5), with molecular formula C26H22ClN3O3 and molecular weight 459.13 g/mol. IUPAC: 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide.
Chemical Property Profile of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide
Property Insights of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide
The XLogP value of 4.35632 indicates that 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide. Following Lipinski's Rule of Five, 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide has 2 hydrogen bond donor(s) and 4 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-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide?
The CAS number of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide is 6846-47-5.
What is the molecular formula of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide?
The molecular formula of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide is C26H22ClN3O3.
What is the molecular weight of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide?
The molecular weight of 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide is 459.13 g/mol.
Where can I buy 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide?
You can request a quote for 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-methylphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.