Iodotrinitromethane
TL;DR: Iodotrinitromethane (CAS 630-70-6) is a chemical compound with molecular formula CIN3O6 and molecular weight 276.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iodo(trinitro)methane
Also Known As: Iodotrinitromethane, METHANE, IODOTRINITRO-, iodo(trinitro)methane, Iodotri(nitro)methane, 2-01-00-00047 (Beilstein Handbook Reference)
| Molecular Formula | CIN3O6 |
|---|---|
| Molecular Weight | 276.88 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.88318 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 630-70-6 |
|---|---|
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])I |
| InChIKey | PVYWOZWHSJHJFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodotrinitromethane (CAS 630-70-6), with molecular formula CIN3O6 and molecular weight 276.88 g/mol. IUPAC: iodo(trinitro)methane.
Chemical Property Profile of Iodotrinitromethane
Property Insights of Iodotrinitromethane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodotrinitromethane. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Iodotrinitromethane. Following Lipinski's Rule of Five, Iodotrinitromethane has 0 hydrogen bond donor(s) and 6 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 Iodotrinitromethane?
The CAS number of Iodotrinitromethane is 630-70-6.
What is the molecular formula of Iodotrinitromethane?
The molecular formula of Iodotrinitromethane is CIN3O6.
What is the molecular weight of Iodotrinitromethane?
The molecular weight of Iodotrinitromethane is 276.88 g/mol.
Where can I buy Iodotrinitromethane?
You can request a quote for Iodotrinitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodotrinitromethane?
Yes, KEHONG BIO provides custom synthesis services for Iodotrinitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.