3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid
TL;DR: 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid (CAS 754227-68-4) is a chemical compound with molecular formula C20H16BrN3O5 and molecular weight 457.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-bromophenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propanoic acid
Also Known As: 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid, 3-[5-(4-bromophenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propanoic Acid, 3-[5-(4-Bromo-phenyl)-1-(4-nitro-benzoylamino)-1H-pyrrol-2-yl]-propionic acid, 3-[5-(4-bromophenyl)-1-{[(4-nitrophenyl)carbonyl]amino}-1H-pyrrol-2-yl]propanoic acid
| Molecular Formula | C20H16BrN3O5 |
|---|---|
| Molecular Weight | 457.03 g/mol |
| LogP | 4.2269 |
| Topological Polar Surface Area | 114.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.02734 |
| Heavy Atoms | 29 |
| Complexity | 1058.7257 |
Chemical Identifiers
| CAS Number | 754227-68-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)O)Br |
Product Overview
3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid (CAS 754227-68-4), with molecular formula C20H16BrN3O5 and molecular weight 457.03 g/mol. IUPAC: 3-[5-(4-bromophenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid
Property Insights of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid
The XLogP value of 4.2269 indicates that 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid 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 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid?
The CAS number of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid is 754227-68-4.
What is the molecular formula of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid?
The molecular formula of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid is C20H16BrN3O5.
What is the molecular weight of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid?
The molecular weight of 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid is 457.03 g/mol.
Where can I buy 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid?
You can request a quote for 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(4-bromophenyl)-1-(4-nitrobenzamido)-1H-pyrrol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.