5-Phenylpyrrole-2-propionic acid
TL;DR: 5-Phenylpyrrole-2-propionic acid (CAS 79720-70-0) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid
Also Known As: 3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid, 5-Phenylpyrrole-2-propionic acid, ChemDiv2_004481, 1H-Pyrrole-2-propanoic acid, 5-phenyl-, 3,5-Dichlorofluorobenzene
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 79720-70-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O |
| InChIKey | RSKVDNXGAFVGIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenylpyrrole-2-propionic acid (CAS 79720-70-0), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid.
Chemical Property Profile of 5-Phenylpyrrole-2-propionic acid
Property Insights of 5-Phenylpyrrole-2-propionic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylpyrrole-2-propionic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 5-Phenylpyrrole-2-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylpyrrole-2-propionic 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 5-Phenylpyrrole-2-propionic acid?
The CAS number of 5-Phenylpyrrole-2-propionic acid is 79720-70-0.
What is the molecular formula of 5-Phenylpyrrole-2-propionic acid?
The molecular formula of 5-Phenylpyrrole-2-propionic acid is C13H13NO2.
What is the molecular weight of 5-Phenylpyrrole-2-propionic acid?
The molecular weight of 5-Phenylpyrrole-2-propionic acid is 215.09 g/mol.
Where can I buy 5-Phenylpyrrole-2-propionic acid?
You can request a quote for 5-Phenylpyrrole-2-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylpyrrole-2-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylpyrrole-2-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.