3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid
TL;DR: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid (CAS 866040-76-8) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-3-(furan-2-yl)propanoic acid
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(furan-2-yl)propanoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid, 3-(2,5-dimethylpyrrol-1-yl)-3-(furan-2-yl)propanoic acid, 5W-0885, 3-(2,5-dimethylpyrrol-1-yl)-3-(2-furyl)propanoic Acid
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.76204 |
| Topological Polar Surface Area | 55.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 491.2619 |
Chemical Identifiers
| CAS Number | 866040-76-8 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC(=O)O)C2=CC=CO2)C |
Product Overview
3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid (CAS 866040-76-8), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-3-(furan-2-yl)propanoic acid.
Chemical Property Profile of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid
Property Insights of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid
The XLogP value of 2.76204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid. With a topological polar surface area (TPSA) of 55.37 Ų, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic 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 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid?
The CAS number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid is 866040-76-8.
What is the molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid?
The molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid is C13H15NO3.
What is the molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid?
The molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid is 233.11 g/mol.
Where can I buy 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid?
You can request a quote for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)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-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-furyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.