1,2,3-Triiodo-5-nitrobenzene
TL;DR: 1,2,3-Triiodo-5-nitrobenzene (CAS 53663-23-3) is a chemical compound with molecular formula C6H2I3NO2 and molecular weight 500.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-triiodo-5-nitrobenzene
Also Known As: 1,2,3-triiodo-5-nitrobenzene, 3,4,5-Trijodnitrobenzol, 4-(Difluoromethoxy)benzylamine, 1,2,3-Trijod-5-nitro-benzol, 1-Nitro-3,4,5-triiodobenzene
| Molecular Formula | C6H2I3NO2 |
|---|---|
| Molecular Weight | 500.72 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 500.722 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 53663-23-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)I)I)[N+](=O)[O-] |
| InChIKey | FQHFOGCNEKGMQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Triiodo-5-nitrobenzene (CAS 53663-23-3), with molecular formula C6H2I3NO2 and molecular weight 500.72 g/mol. IUPAC: 1,2,3-triiodo-5-nitrobenzene.
Chemical Property Profile of 1,2,3-Triiodo-5-nitrobenzene
Property Insights of 1,2,3-Triiodo-5-nitrobenzene
The XLogP value of 3.7 indicates that 1,2,3-Triiodo-5-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2,3-Triiodo-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Triiodo-5-nitrobenzene 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 1,2,3-Triiodo-5-nitrobenzene?
The CAS number of 1,2,3-Triiodo-5-nitrobenzene is 53663-23-3.
What is the molecular formula of 1,2,3-Triiodo-5-nitrobenzene?
The molecular formula of 1,2,3-Triiodo-5-nitrobenzene is C6H2I3NO2.
What is the molecular weight of 1,2,3-Triiodo-5-nitrobenzene?
The molecular weight of 1,2,3-Triiodo-5-nitrobenzene is 500.72 g/mol.
Where can I buy 1,2,3-Triiodo-5-nitrobenzene?
You can request a quote for 1,2,3-Triiodo-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Triiodo-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Triiodo-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.