(E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid
TL;DR: (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid (CAS 1164466-01-6) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(4-methylphenyl)-4-[5-(4-methylphenyl)-2-oxo-1H-pyrrol-3-ylidene]butanoic acid
Also Known As: (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid, (4E)-4-(4-methylphenyl)-4-[5-(4-methylphenyl)-2-oxo-1H-pyrrol-3-ylidene]butanoic acid, 4-[2-Oxo-5-p-tolyl-1,2-dihydro-pyrrol-(3E)-ylidene]-4-p-tolyl-butyric acid, (4E)-4-(4-methylphenyl)-4-[5-(4-methylphenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]butanoic acid, 4-(4-methylphenyl)-4-[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]butanoic acid
| Molecular Formula | C22H21NO3 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 4.09274 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.15213 |
| Heavy Atoms | 26 |
| Complexity | 903.40845 |
Chemical Identifiers
| CAS Number | 1164466-01-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C/C(=C(/CCC(=O)O)\C3=CC=C(C=C3)C)/C(=O)N2 |
Product Overview
(E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid (CAS 1164466-01-6), with molecular formula C22H21NO3 and molecular weight 347.15 g/mol. IUPAC: (4E)-4-(4-methylphenyl)-4-[5-(4-methylphenyl)-2-oxo-1H-pyrrol-3-ylidene]butanoic acid.
Chemical Property Profile of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid
Property Insights of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid
The XLogP value of 4.09274 indicates that (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid. Following Lipinski's Rule of Five, (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid has 2 hydrogen bond donor(s) and 2 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 (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid?
The CAS number of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid is 1164466-01-6.
What is the molecular formula of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid?
The molecular formula of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid is C22H21NO3.
What is the molecular weight of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid?
The molecular weight of (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid is 347.15 g/mol.
Where can I buy (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid?
You can request a quote for (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-oxo-5-(p-tolyl)-1H-pyrrol-3(2H)-ylidene)-4-(p-tolyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.