1,2,3-Triiodo-4-methyl-5-nitrobenzene
TL;DR: 1,2,3-Triiodo-4-methyl-5-nitrobenzene (CAS 62312-55-4) is a chemical compound with molecular formula C7H4I3NO2 and molecular weight 514.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-triiodo-4-methyl-5-nitrobenzene
Also Known As: 1,2,3-triiodo-4-methyl-5-nitrobenzene, 4,5,6-triiodo-2-nitrotoluene, Benzene,1,2,3-triiodo-4-methyl-5-nitro-, RefChem:214738
| Molecular Formula | C7H4I3NO2 |
|---|---|
| Molecular Weight | 514.74 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 514.7376 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 62312-55-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])I)I)I |
| InChIKey | QLIAWQQDEBDNOF-UHFFFAOYSA-N |
Product Overview
1,2,3-Triiodo-4-methyl-5-nitrobenzene (CAS 62312-55-4), with molecular formula C7H4I3NO2 and molecular weight 514.74 g/mol. IUPAC: 1,2,3-triiodo-4-methyl-5-nitrobenzene.
Chemical Property Profile of 1,2,3-Triiodo-4-methyl-5-nitrobenzene
Property Insights of 1,2,3-Triiodo-4-methyl-5-nitrobenzene
The XLogP value of 4.1 indicates that 1,2,3-Triiodo-4-methyl-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-4-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Triiodo-4-methyl-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-4-methyl-5-nitrobenzene?
The CAS number of 1,2,3-Triiodo-4-methyl-5-nitrobenzene is 62312-55-4.
What is the molecular formula of 1,2,3-Triiodo-4-methyl-5-nitrobenzene?
The molecular formula of 1,2,3-Triiodo-4-methyl-5-nitrobenzene is C7H4I3NO2.
What is the molecular weight of 1,2,3-Triiodo-4-methyl-5-nitrobenzene?
The molecular weight of 1,2,3-Triiodo-4-methyl-5-nitrobenzene is 514.74 g/mol.
Where can I buy 1,2,3-Triiodo-4-methyl-5-nitrobenzene?
You can request a quote for 1,2,3-Triiodo-4-methyl-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-4-methyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Triiodo-4-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.