5-Phenyl-1H-pyrrole-2-acetic acid
TL;DR: 5-Phenyl-1H-pyrrole-2-acetic acid (CAS 5449-90-1) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-phenyl-1H-pyrrol-2-yl)acetic acid
Also Known As: Dipropylenetriamine, Pyrrole-2-acetic acid, 5-phenyl-, 5-Phenyl-pyrrole-2-acetic acid, 2-(5-phenyl-1H-pyrrol-2-yl)acetic acid, 1h-pyrrole-2-acetic acid, 5-phenyl-
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 5449-90-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(N2)CC(=O)O |
| InChIKey | XQJSJRJYORMNQE-UHFFFAOYSA-N |
Product Overview
5-Phenyl-1H-pyrrole-2-acetic acid (CAS 5449-90-1), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 2-(5-phenyl-1H-pyrrol-2-yl)acetic acid.
Chemical Property Profile of 5-Phenyl-1H-pyrrole-2-acetic acid
Property Insights of 5-Phenyl-1H-pyrrole-2-acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1H-pyrrole-2-acetic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 5-Phenyl-1H-pyrrole-2-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1H-pyrrole-2-acetic 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-Phenyl-1H-pyrrole-2-acetic acid?
The CAS number of 5-Phenyl-1H-pyrrole-2-acetic acid is 5449-90-1.
What is the molecular formula of 5-Phenyl-1H-pyrrole-2-acetic acid?
The molecular formula of 5-Phenyl-1H-pyrrole-2-acetic acid is C12H11NO2.
What is the molecular weight of 5-Phenyl-1H-pyrrole-2-acetic acid?
The molecular weight of 5-Phenyl-1H-pyrrole-2-acetic acid is 201.08 g/mol.
Where can I buy 5-Phenyl-1H-pyrrole-2-acetic acid?
You can request a quote for 5-Phenyl-1H-pyrrole-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1H-pyrrole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1H-pyrrole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.