Pyrrole, 2,4-dinitro-1-isopentyl-
TL;DR: Pyrrole, 2,4-dinitro-1-isopentyl- (CAS 2948-65-4) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylbutyl)-2,4-dinitropyrrole
Also Known As: 2,4-Dinitro-1-isopentylpyrrole, Pyrrole, 2,4-dinitro-1-isopentyl-, 1-(3-methylbutyl)-2,4-dinitropyrrole, 1-(3-methylbutyl)-2,4-dinitro-1H-pyrrole, BRN 1624189
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 2948-65-4 |
|---|---|
| SMILES | CC(C)CCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XKTYRTNZWAPUAG-UHFFFAOYSA-N |
Product Overview
Pyrrole, 2,4-dinitro-1-isopentyl- (CAS 2948-65-4), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 1-(3-methylbutyl)-2,4-dinitropyrrole.
Chemical Property Profile of Pyrrole, 2,4-dinitro-1-isopentyl-
Property Insights of Pyrrole, 2,4-dinitro-1-isopentyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole, 2,4-dinitro-1-isopentyl-. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole, 2,4-dinitro-1-isopentyl-. Following Lipinski's Rule of Five, Pyrrole, 2,4-dinitro-1-isopentyl- 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-isopentyl-?
The CAS number of Pyrrole, 2,4-dinitro-1-isopentyl- is 2948-65-4.
What is the molecular formula of Pyrrole, 2,4-dinitro-1-isopentyl-?
The molecular formula of Pyrrole, 2,4-dinitro-1-isopentyl- is C9H13N3O4.
What is the molecular weight of Pyrrole, 2,4-dinitro-1-isopentyl-?
The molecular weight of Pyrrole, 2,4-dinitro-1-isopentyl- is 227.09 g/mol.
Where can I buy Pyrrole, 2,4-dinitro-1-isopentyl-?
You can request a quote for Pyrrole, 2,4-dinitro-1-isopentyl- 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-isopentyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole, 2,4-dinitro-1-isopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.