![3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid structure](/static/products/892/892218-97-2.png)
3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid
TL;DR: 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid (CAS 892218-97-2) is a chemical compound with molecular formula C20H17NO4 and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-carboxyethyl)-5-phenylpyrrol-1-yl]benzoic acid
Also Known As: 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid, 3-[2-(2-carboxyethyl)-5-phenyl-pyrrol-1-yl]benzoic Acid, 3-[2-(2-carboxyethyl)-5-phenylpyrrol-1-yl]benzoic acid, 3-[2-(2-carboxyethyl)-5-phenyl-1-pyrrolyl]benzoic acid, 3-[2-(3-hydroxy-3-oxopropyl)-5-phenyl-pyrrol-1-yl]benzoic acid
| Molecular Formula | C20H17NO4 |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.8597 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.11575 |
| Heavy Atoms | 25 |
| Complexity | 912.4554 |
Chemical Identifiers
| CAS Number | 892218-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)O)CCC(=O)O |
Product Overview
3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid (CAS 892218-97-2), with molecular formula C20H17NO4 and molecular weight 335.12 g/mol. IUPAC: 3-[2-(2-carboxyethyl)-5-phenylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid
Property Insights of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid
The XLogP value of 3.8597 indicates that 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic 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 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid?
The CAS number of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid is 892218-97-2.
What is the molecular formula of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid?
The molecular formula of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid is C20H17NO4.
What is the molecular weight of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid?
The molecular weight of 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid is 335.12 g/mol.
Where can I buy 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid?
You can request a quote for 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-carboxyethyl)-5-phenyl-1H-pyrrol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.