3-Nitropyrrole
TL;DR: 3-Nitropyrrole (CAS 59300-45-7) is a chemical compound with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-1H-pyrrole
Also Known As: 3-Nitropyrrole, 3-Nitro-1H-pyrrole, 1H-Pyrrole, 3-nitro-, 3-nitro-1H-pyrole, Pyrrole, 3-nitro-
| Molecular Formula | C4H4N2O2 |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.027275 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 59300-45-7 |
|---|---|
| SMILES | C1=CNC=C1[N+](=O)[O-] |
| InChIKey | LOJNBPNACKZWAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitropyrrole (CAS 59300-45-7), with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol. IUPAC: 3-nitro-1H-pyrrole.
Chemical Property Profile of 3-Nitropyrrole
Property Insights of 3-Nitropyrrole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitropyrrole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitropyrrole. Following Lipinski's Rule of Five, 3-Nitropyrrole has 1 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 3-Nitropyrrole?
The CAS number of 3-Nitropyrrole is 59300-45-7.
What is the molecular formula of 3-Nitropyrrole?
The molecular formula of 3-Nitropyrrole is C4H4N2O2.
What is the molecular weight of 3-Nitropyrrole?
The molecular weight of 3-Nitropyrrole is 112.03 g/mol.
Where can I buy 3-Nitropyrrole?
You can request a quote for 3-Nitropyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitropyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitropyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.