![4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid structure](/static/products/4780/478032-86-9.webp)
4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid
TL;DR: 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid (CAS 478032-86-9) is a chemical compound with molecular formula C29H25N3O2 and molecular weight 447.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)iminomethyl]benzoic acid
Also Known As: 4-[(1-butyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)iminomethyl]benzoic Acid, 4-[(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)iminomethyl]benzoic acid, 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid, 4-{[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl}benzenecarboxylic acid
| Molecular Formula | C29H25N3O2 |
|---|---|
| Molecular Weight | 447.19 g/mol |
| LogP | 6.94268 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.19467 |
| Heavy Atoms | 34 |
| Complexity | 1346.7587 |
Chemical Identifiers
| CAS Number | 478032-86-9 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C1N=CC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid (CAS 478032-86-9), with molecular formula C29H25N3O2 and molecular weight 447.19 g/mol. IUPAC: 4-[(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)iminomethyl]benzoic acid.
Chemical Property Profile of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid
Property Insights of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid
The XLogP value of 6.94268 indicates that 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid?
The CAS number of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid is 478032-86-9.
What is the molecular formula of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid?
The molecular formula of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid is C29H25N3O2.
What is the molecular weight of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid?
The molecular weight of 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid is 447.19 g/mol.
Where can I buy 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid?
You can request a quote for 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-[(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)imino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.