Pyrrole, 2,4-dinitro-1-isopropyl-
TL;DR: Pyrrole, 2,4-dinitro-1-isopropyl- (CAS 2881-71-2) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-propan-2-ylpyrrole
Also Known As: Pyrrole, 2,4-dinitro-1-isopropyl-, 2,4-Dinitro-1-isopropylpyrrole, 2,4-dinitro-1-propan-2-ylpyrrole, ORF 1518, 2,4-dinitro-1-(propan-2-yl)-1H-pyrrole
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 2881-71-2 |
|---|---|
| SMILES | CC(C)N1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WTTXQLIGBVJYKM-UHFFFAOYSA-N |
Product Overview
Pyrrole, 2,4-dinitro-1-isopropyl- (CAS 2881-71-2), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: 2,4-dinitro-1-propan-2-ylpyrrole.
Chemical Property Profile of Pyrrole, 2,4-dinitro-1-isopropyl-
Property Insights of Pyrrole, 2,4-dinitro-1-isopropyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole, 2,4-dinitro-1-isopropyl-. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole, 2,4-dinitro-1-isopropyl-. Following Lipinski's Rule of Five, Pyrrole, 2,4-dinitro-1-isopropyl- 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 Pyrrole, 2,4-dinitro-1-isopropyl-?
The CAS number of Pyrrole, 2,4-dinitro-1-isopropyl- is 2881-71-2.
What is the molecular formula of Pyrrole, 2,4-dinitro-1-isopropyl-?
The molecular formula of Pyrrole, 2,4-dinitro-1-isopropyl- is C7H9N3O4.
What is the molecular weight of Pyrrole, 2,4-dinitro-1-isopropyl-?
The molecular weight of Pyrrole, 2,4-dinitro-1-isopropyl- is 199.06 g/mol.
Where can I buy Pyrrole, 2,4-dinitro-1-isopropyl-?
You can request a quote for Pyrrole, 2,4-dinitro-1-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole, 2,4-dinitro-1-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole, 2,4-dinitro-1-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.