3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid
TL;DR: 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid (CAS 115058-21-4) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoic acid
Also Known As: 3-(4-hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid, J1.008.286B, 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoic acid, 3-(4-hydroxyphenyl)-2-pyrrol-1-yl-propanoic Acid, 1H-Pyrrole-1-acetic acid, alpha-((4-hydroxyphenyl)methyl)-
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 62.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
| SMILES | C1=CN(C=C1)C(CC2=CC=C(C=C2)O)C(=O)O |
| InChIKey | QNVOOJCHGAPKOV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid
Property Insights of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid?
The CAS number of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid is 115058-21-4.
What is the molecular formula of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid?
The molecular formula of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid is C13H13NO3.
What is the molecular weight of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid?
The molecular weight of 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid is 231.08954 g/mol.
Where can I buy 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid?
You can request a quote for 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.