ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate
TL;DR: ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate (CAS 866040-70-2) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate
Also Known As: ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate, Ethyl 3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 3.55574 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 684.3835 |
Chemical Identifiers
| CAS Number | 866040-70-2 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])N2C(=CC=C2C)C |
Product Overview
ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate (CAS 866040-70-2), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: ethyl 3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate
Property Insights of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate
The XLogP value of 3.55574 indicates that ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate has 0 hydrogen bond donor(s) and 4 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 ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate?
The CAS number of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate is 866040-70-2.
What is the molecular formula of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate?
The molecular formula of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate is C17H20N2O4.
What is the molecular weight of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate?
The molecular weight of ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate is 316.14 g/mol.
Where can I buy ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate?
You can request a quote for ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.