2-Nitro-1-(2,3,3-triiodoallyl)pyrrole
TL;DR: 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole (CAS 106191-71-3) is a chemical compound with molecular formula C7H5I3N2O2 and molecular weight 529.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1-(2,3,3-triiodoprop-2-enyl)pyrrole
Also Known As: 1-(2',3',3'-triiodoallyl)-2-nitropyrrole, 2-nitro-1-(2,3,3-triiodoallyl)pyrrole, 2-nitro-1-(2,3,3-triiodoprop-2-enyl)pyrrole, 1H-Pyrrole, 2-nitro-1-(2,3,3-triiodo-2-propenyl)-
| Molecular Formula | C7H5I3N2O2 |
|---|---|
| Molecular Weight | 529.75 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 529.7485 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 106191-71-3 |
|---|---|
| SMILES | C1=CN(C(=C1)[N+](=O)[O-])CC(=C(I)I)I |
| InChIKey | WLJBGCNGISKOSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1-(2,3,3-triiodoallyl)pyrrole (CAS 106191-71-3), with molecular formula C7H5I3N2O2 and molecular weight 529.75 g/mol. IUPAC: 2-nitro-1-(2,3,3-triiodoprop-2-enyl)pyrrole.
Chemical Property Profile of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole
Property Insights of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole
The XLogP value of 3.9 indicates that 2-Nitro-1-(2,3,3-triiodoallyl)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-Nitro-1-(2,3,3-triiodoallyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole?
The CAS number of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole is 106191-71-3.
What is the molecular formula of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole?
The molecular formula of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole is C7H5I3N2O2.
What is the molecular weight of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole?
The molecular weight of 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole is 529.75 g/mol.
Where can I buy 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole?
You can request a quote for 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1-(2,3,3-triiodoallyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.