2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid
TL;DR: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid (CAS 130016-75-0) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylpyrrol-1-yl)-3-phenylpropanoic acid
Also Known As: 2-(2,5-Dimethyl-pyrrol-1-yl)-3-phenyl-propionic acid, TimTec1_008209, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid, BAS 01191302, 2-(2,5-dimethylpyrrol-1-yl)-3-phenylpropanoic acid
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 130016-75-0 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC2=CC=CC=C2)C(=O)O)C |
| InChIKey | CIUPYBFUPLMRLH-UHFFFAOYSA-N |
Product Overview
2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid (CAS 130016-75-0), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: 2-(2,5-dimethylpyrrol-1-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid
Property Insights of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid
The XLogP value of 3.1 indicates that 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid has 1 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 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid?
The CAS number of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid is 130016-75-0.
What is the molecular formula of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid?
The molecular formula of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid is C15H17NO2.
What is the molecular weight of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid?
The molecular weight of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid is 243.13 g/mol.
Where can I buy 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid?
You can request a quote for 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.