3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid
TL;DR: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid (CAS 866040-59-7) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 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-(4-nitrophenyl)propanoic acid
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid, 3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoic Acid, 5W-0855, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoicacid
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 3.07724 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 653.9821 |
Chemical Identifiers
| CAS Number | 866040-59-7 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid (CAS 866040-59-7), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid.
Chemical Property Profile of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid
Property Insights of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid
The XLogP value of 3.07724 indicates that 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid has 1 hydrogen bond donor(s) and 3 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-(4-nitrophenyl)propanoic acid?
The CAS number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid is 866040-59-7.
What is the molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid?
The molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid is C15H16N2O4.
What is the molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid?
The molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid is 288.11 g/mol.
Where can I buy 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid?
You can request a quote for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)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-(4-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.