Pyrrole, 2,4-dinitro-1-isobutyl-
TL;DR: Pyrrole, 2,4-dinitro-1-isobutyl- (CAS 2948-67-6) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-2,4-dinitropyrrole
Also Known As: 2,4-Dinitro-1-isobutylpyrrole, Pyrrole, 2,4-dinitro-1-isobutyl-, 1-(2-methylpropyl)-2,4-dinitropyrrole, 1-(2-methylpropyl)-2,4-dinitro-1H-pyrrole, BRN 1623470
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 2948-67-6 |
|---|---|
| SMILES | CC(C)CN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UMYYNMOYTKPSFL-UHFFFAOYSA-N |
Product Overview
Pyrrole, 2,4-dinitro-1-isobutyl- (CAS 2948-67-6), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: 1-(2-methylpropyl)-2,4-dinitropyrrole.
Chemical Property Profile of Pyrrole, 2,4-dinitro-1-isobutyl-
Property Insights of Pyrrole, 2,4-dinitro-1-isobutyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole, 2,4-dinitro-1-isobutyl-. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole, 2,4-dinitro-1-isobutyl-. Following Lipinski's Rule of Five, Pyrrole, 2,4-dinitro-1-isobutyl- 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-isobutyl-?
The CAS number of Pyrrole, 2,4-dinitro-1-isobutyl- is 2948-67-6.
What is the molecular formula of Pyrrole, 2,4-dinitro-1-isobutyl-?
The molecular formula of Pyrrole, 2,4-dinitro-1-isobutyl- is C8H11N3O4.
What is the molecular weight of Pyrrole, 2,4-dinitro-1-isobutyl-?
The molecular weight of Pyrrole, 2,4-dinitro-1-isobutyl- is 213.07 g/mol.
Where can I buy Pyrrole, 2,4-dinitro-1-isobutyl-?
You can request a quote for Pyrrole, 2,4-dinitro-1-isobutyl- 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-isobutyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole, 2,4-dinitro-1-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.