3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
TL;DR: 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid (CAS 866019-35-4) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-3-pyrrol-1-ylpropanoic acid
Also Known As: 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid, 3-(4-nitrophenyl)-3-pyrrol-1-ylpropanoic acid, 3-(4-nitrophenyl)-3-pyrrol-1-yl-propanoic Acid, 3-(4-nitrophenyl)-3-(pyrrol-1-yl)propanoic acid, 4W-0882
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.4604 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 575.2005 |
Chemical Identifiers
| CAS Number | 866019-35-4 |
|---|---|
| SMILES | C1=CN(C=C1)C(CC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid (CAS 866019-35-4), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 3-(4-nitrophenyl)-3-pyrrol-1-ylpropanoic acid.
Chemical Property Profile of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
Property Insights of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
The XLogP value of 2.4604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 3 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-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
The CAS number of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is 866019-35-4.
What is the molecular formula of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
The molecular formula of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is C13H12N2O4.
What is the molecular weight of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
The molecular weight of 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is 260.08 g/mol.
Where can I buy 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
You can request a quote for 3-(4-nitrophenyl)-3-(1H-pyrrol-1-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-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.