2-Methyl-1,4-dinitropyrrole
TL;DR: 2-Methyl-1,4-dinitropyrrole (CAS 75142-42-6) 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.
2-methyl-1,4-dinitropyrrole
Also Known As: 2-Methyl-1,4-dinitropyrrole, 1,4-Dinitro-2-methylpyrrole, 1H-Pyrrole,2-methyl-1,4-dinitro-, 2-methyl-1,4-dinitro-1H-Pyrrole, 1,4-dinitro-2-methyl pyrrole
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 1.2 |
| 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 | 75142-42-6 |
|---|---|
| SMILES | CC1=CC(=CN1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CAMLSTGUJYUCDX-UHFFFAOYSA-N |
Product Overview
2-Methyl-1,4-dinitropyrrole (CAS 75142-42-6), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 2-methyl-1,4-dinitropyrrole.
Chemical Property Profile of 2-Methyl-1,4-dinitropyrrole
Property Insights of 2-Methyl-1,4-dinitropyrrole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,4-dinitropyrrole. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,4-dinitropyrrole. Following Lipinski's Rule of Five, 2-Methyl-1,4-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 2-Methyl-1,4-dinitropyrrole?
The CAS number of 2-Methyl-1,4-dinitropyrrole is 75142-42-6.
What is the molecular formula of 2-Methyl-1,4-dinitropyrrole?
The molecular formula of 2-Methyl-1,4-dinitropyrrole is C5H5N3O4.
What is the molecular weight of 2-Methyl-1,4-dinitropyrrole?
The molecular weight of 2-Methyl-1,4-dinitropyrrole is 171.03 g/mol.
Where can I buy 2-Methyl-1,4-dinitropyrrole?
You can request a quote for 2-Methyl-1,4-dinitropyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,4-dinitropyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,4-dinitropyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.