![[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid structure](/static/products/328/328004-31-5.png)
[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
TL;DR: [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid (CAS 328004-31-5) is a chemical compound with molecular formula C26H23N3O5 and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylanilino)-1-(4-methylphenyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
Also Known As: [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid, 2-(2-(3-nitrophenyl)-5-oxo-1-(p-tolyl)-4-(p-tolylamino)-2,5-dihydro-1H-pyrrol-3-yl)acetic acid, 2-[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-3-yl]acetic Acid, 2-[4-(4-methylanilino)-1-(4-methylphenyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
| Molecular Formula | C26H23N3O5 |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 5.14044 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.16376 |
| Heavy Atoms | 34 |
| Complexity | 1296.7712 |
Chemical Identifiers
| CAS Number | 328004-31-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)[N+](=O)[O-])CC(=O)O |
Product Overview
[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid (CAS 328004-31-5), with molecular formula C26H23N3O5 and molecular weight 457.16 g/mol. IUPAC: 2-[4-(4-methylanilino)-1-(4-methylphenyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid.
Chemical Property Profile of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
Property Insights of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
The XLogP value of 5.14044 indicates that [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid. Following Lipinski's Rule of Five, [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid has 2 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 [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid?
The CAS number of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is 328004-31-5.
What is the molecular formula of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid?
The molecular formula of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is C26H23N3O5.
What is the molecular weight of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid?
The molecular weight of [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is 457.16 g/mol.
Where can I buy [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid?
You can request a quote for [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.