1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone
TL;DR: 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone (CAS 849511-23-5) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone
Also Known As: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone, 1-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-nitrophenoxy)ethan-1-one
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.60974 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 757.6457 |
Chemical Identifiers
| CAS Number | 849511-23-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone (CAS 849511-23-5), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone.
Chemical Property Profile of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone
Property Insights of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone
The XLogP value of 3.60974 indicates that 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone 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 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone. Following Lipinski's Rule of Five, 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone 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 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone?
The CAS number of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone is 849511-23-5.
What is the molecular formula of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone?
The molecular formula of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone is C17H18N2O4.
What is the molecular weight of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone?
The molecular weight of 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone is 314.13 g/mol.
Where can I buy 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone?
You can request a quote for 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.