3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid
TL;DR: 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid (CAS 54474-50-9) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
Also Known As: 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid, 2,4-Dimethyl-3-pyrrolepropionic acid, SAGABBLUUSFKNW-UHFFFAOYSA-, 2,4-Dimethyl-1H-pyrrole-3-propanoic acid, 2,4-dimethyl-3-carboxyethylpyrrole
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.64874 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 269.2187 |
Chemical Identifiers
| CAS Number | 54474-50-9 |
|---|---|
| SMILES | CC1=CNC(=C1CCC(=O)O)C |
Product Overview
3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid (CAS 54474-50-9), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid.
Chemical Property Profile of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid
Property Insights of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid
The XLogP value of 1.64874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid. With a topological polar surface area (TPSA) of 53.09 Ų, 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid has 2 hydrogen bond donor(s) and 1 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-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid?
The CAS number of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid is 54474-50-9.
What is the molecular formula of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid?
The molecular formula of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid is C9H13NO2.
What is the molecular weight of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid?
The molecular weight of 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid is 167.09 g/mol.
Where can I buy 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid?
You can request a quote for 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.