2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
TL;DR: 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether (CAS 7146-47-6) is a chemical compound with molecular formula C16H14IN3O7 and molecular weight 486.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene
Also Known As: Dnp-int, DNPINT, Iodonitrothymol dinitrophenyl ether, 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether, J1.448.867G
| Molecular Formula | C16H14IN3O7 |
|---|---|
| Molecular Weight | 486.99 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.98764 |
| Heavy Atoms | 27 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 7146-47-6 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1I)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C)[N+](=O)[O-] |
| InChIKey | JWEBDWJHYHAROA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether (CAS 7146-47-6), with molecular formula C16H14IN3O7 and molecular weight 486.99 g/mol. IUPAC: 4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene.
Chemical Property Profile of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
Property Insights of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
The XLogP value of 5.1 indicates that 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether?
The CAS number of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether is 7146-47-6.
What is the molecular formula of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether?
The molecular formula of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether is C16H14IN3O7.
What is the molecular weight of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether?
The molecular weight of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether is 486.99 g/mol.
Where can I buy 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether?
You can request a quote for 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.