1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole
TL;DR: 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole (CAS 87427-35-8) is a chemical compound with molecular formula C7H5IN2O2 and molecular weight 275.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-iodoprop-2-ynyl)-2-nitropyrrole
Also Known As: 1-(3-iodoprop-2-ynyl)-2-nitropyrrole, 1-(3-iodoprop-2-ynyl)-2-nitro-pyrrole, 1H-Pyrrole, 1-(3-iodo-2-propyn-1-yl)-2-nitro-, 1H-Pyrrole, 1-(3-iodo-2-propynyl)-2-nitro-
| Molecular Formula | C7H5IN2O2 |
|---|---|
| Molecular Weight | 275.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.93958 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 87427-35-8 |
|---|---|
| SMILES | C1=CN(C(=C1)[N+](=O)[O-])CC#CI |
| InChIKey | AGVZVCDDVBGIQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole (CAS 87427-35-8), with molecular formula C7H5IN2O2 and molecular weight 275.94 g/mol. IUPAC: 1-(3-iodoprop-2-ynyl)-2-nitropyrrole.
Chemical Property Profile of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole
Property Insights of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole. With a topological polar surface area (TPSA) of 50.8 Ų, 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Iodoprop-2-ynyl)-2-nitro-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 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole?
The CAS number of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole is 87427-35-8.
What is the molecular formula of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole?
The molecular formula of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole is C7H5IN2O2.
What is the molecular weight of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole?
The molecular weight of 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole is 275.94 g/mol.
Where can I buy 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole?
You can request a quote for 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Iodoprop-2-ynyl)-2-nitro-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.