ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate
TL;DR: ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate (CAS 701924-20-1) 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.
ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzoate
Also Known As: ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate, ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzoate, Ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitro-benzoate
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 3.17904 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 684.19434 |
Chemical Identifiers
| CAS Number | 701924-20-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C)C)[N+](=O)[O-] |
Product Overview
ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate (CAS 701924-20-1), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzoate.
Chemical Property Profile of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate
Property Insights of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate
The XLogP value of 3.17904 indicates that ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate 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 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate. Following Lipinski's Rule of Five, ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate 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 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate?
The CAS number of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate is 701924-20-1.
What is the molecular formula of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate?
The molecular formula of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate is C15H16N2O4.
What is the molecular weight of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate?
The molecular weight of ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate is 288.11 g/mol.
Where can I buy ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate?
You can request a quote for ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.