Pyrrole, 2,4-dinitro-1-methyl-
TL;DR: Pyrrole, 2,4-dinitro-1-methyl- (CAS 2948-69-8) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2,4-dinitropyrrole
Also Known As: Pyrrole, 2,4-dinitro-1-methyl-, 2,4-Dinitro-1-methylpyrrole, 1-methyl-2,4-dinitropyrrole, ORF 1350, N-methyl-2,4-dinitropyrrole
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 2948-69-8 |
|---|---|
| SMILES | CN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MLTNFLAALLYRSY-UHFFFAOYSA-N |
Product Overview
Pyrrole, 2,4-dinitro-1-methyl- (CAS 2948-69-8), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 1-methyl-2,4-dinitropyrrole.
Chemical Property Profile of Pyrrole, 2,4-dinitro-1-methyl-
Property Insights of Pyrrole, 2,4-dinitro-1-methyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole, 2,4-dinitro-1-methyl-. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole, 2,4-dinitro-1-methyl-. Following Lipinski's Rule of Five, Pyrrole, 2,4-dinitro-1-methyl- 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-methyl-?
The CAS number of Pyrrole, 2,4-dinitro-1-methyl- is 2948-69-8.
What is the molecular formula of Pyrrole, 2,4-dinitro-1-methyl-?
The molecular formula of Pyrrole, 2,4-dinitro-1-methyl- is C5H5N3O4.
What is the molecular weight of Pyrrole, 2,4-dinitro-1-methyl-?
The molecular weight of Pyrrole, 2,4-dinitro-1-methyl- is 171.03 g/mol.
Where can I buy Pyrrole, 2,4-dinitro-1-methyl-?
You can request a quote for Pyrrole, 2,4-dinitro-1-methyl- 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-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole, 2,4-dinitro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.