2-Iodo-5-nitrotoluene
TL;DR: 2-Iodo-5-nitrotoluene (CAS 5326-38-5) is a chemical compound with molecular formula C7H6INO2 and molecular weight 262.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2-methyl-4-nitrobenzene
Also Known As: 2-Iodo-5-nitrotoluene, 1-iodo-2-methyl-4-nitrobenzene, Benzene, 1-iodo-2-methyl-4-nitro-, 3-Fluoro-4-methylbenzylamine, 1-Iodo-2-methyl-4-nitro-benzene
| Molecular Formula | C7H6INO2 |
|---|---|
| Molecular Weight | 262.94 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.94434 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 5326-38-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])I |
| InChIKey | ARJHCXYRCLMLQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodo-5-nitrotoluene (CAS 5326-38-5), with molecular formula C7H6INO2 and molecular weight 262.94 g/mol. IUPAC: 1-iodo-2-methyl-4-nitrobenzene.
Chemical Property Profile of 2-Iodo-5-nitrotoluene
Property Insights of 2-Iodo-5-nitrotoluene
The XLogP value of 3.2 indicates that 2-Iodo-5-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Iodo-5-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-5-nitrotoluene 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 2-Iodo-5-nitrotoluene?
The CAS number of 2-Iodo-5-nitrotoluene is 5326-38-5.
What is the molecular formula of 2-Iodo-5-nitrotoluene?
The molecular formula of 2-Iodo-5-nitrotoluene is C7H6INO2.
What is the molecular weight of 2-Iodo-5-nitrotoluene?
The molecular weight of 2-Iodo-5-nitrotoluene is 262.94 g/mol.
Where can I buy 2-Iodo-5-nitrotoluene?
You can request a quote for 2-Iodo-5-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-5-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-5-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.