1-Ethyl-2,4-dinitropyrrole
TL;DR: 1-Ethyl-2,4-dinitropyrrole (CAS 2948-68-7) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,4-dinitropyrrole
Also Known As: 1-ethyl-2,4-dinitropyrrole, Pyrrole, 2,4-dinitro-1-ethyl-, 2,4-Dinitro-1-ethylpyrrole, 1-ethyl-2,4-dinitro-1h-pyrrole, 1H-Pyrrole, 1-ethyl-2,4-dinitro-
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 2948-68-7 |
|---|---|
| SMILES | CCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VIQVAYRFWKGJEJ-UHFFFAOYSA-N |
Product Overview
1-Ethyl-2,4-dinitropyrrole (CAS 2948-68-7), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: 1-ethyl-2,4-dinitropyrrole.
Chemical Property Profile of 1-Ethyl-2,4-dinitropyrrole
Property Insights of 1-Ethyl-2,4-dinitropyrrole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2,4-dinitropyrrole. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-2,4-dinitropyrrole. Following Lipinski's Rule of Five, 1-Ethyl-2,4-dinitropyrrole 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-Ethyl-2,4-dinitropyrrole?
The CAS number of 1-Ethyl-2,4-dinitropyrrole is 2948-68-7.
What is the molecular formula of 1-Ethyl-2,4-dinitropyrrole?
The molecular formula of 1-Ethyl-2,4-dinitropyrrole is C6H7N3O4.
What is the molecular weight of 1-Ethyl-2,4-dinitropyrrole?
The molecular weight of 1-Ethyl-2,4-dinitropyrrole is 185.04 g/mol.
Where can I buy 1-Ethyl-2,4-dinitropyrrole?
You can request a quote for 1-Ethyl-2,4-dinitropyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2,4-dinitropyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2,4-dinitropyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.