2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole
TL;DR: 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole (CAS 5044-22-4) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-(4-nitrophenyl)pyrrole
Also Known As: 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole, 2,5-dimethyl-1-(4-nitrophenyl)pyrrole, Maybridge1_007286, 1-(4-Nitrophenyl)-2,5-dimethylpyrrole, OSM-S-287
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 5044-22-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | JXJRCFOGAIXRCU-UHFFFAOYSA-N |
Product Overview
2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole (CAS 5044-22-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2,5-dimethyl-1-(4-nitrophenyl)pyrrole.
Chemical Property Profile of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole
Property Insights of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole
The XLogP value of 3.0 indicates that 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole has 0 hydrogen bond donor(s) and 2 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 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole?
The CAS number of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole is 5044-22-4.
What is the molecular formula of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole?
The molecular formula of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole is C12H12N2O2.
What is the molecular weight of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole?
The molecular weight of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole is 216.09 g/mol.
Where can I buy 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole?
You can request a quote for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.