2,6-Diiodo-3-methyl-4-nitroaniline
TL;DR: 2,6-Diiodo-3-methyl-4-nitroaniline (CAS 6131-75-5) is a chemical compound with molecular formula C7H6I2N2O2 and molecular weight 403.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diiodo-3-methyl-4-nitroaniline
Also Known As: 2,6-Diiodo-4-nitro-m-toluidine, 2,6-diiodo-3-methyl-4-nitroaniline, NIOSH/XU5796000, 2.4-Dijod-6-nitro-3-amino-toluol, m-Toluidine, 2,6-diiodo-4-nitro-
| Molecular Formula | C7H6I2N2O2 |
|---|---|
| Molecular Weight | 403.85 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 403.85187 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 6131-75-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])I)N)I |
| InChIKey | PVERXMYYYHZCHE-UHFFFAOYSA-N |
Product Overview
2,6-Diiodo-3-methyl-4-nitroaniline (CAS 6131-75-5), with molecular formula C7H6I2N2O2 and molecular weight 403.85 g/mol. IUPAC: 2,6-diiodo-3-methyl-4-nitroaniline.
Chemical Property Profile of 2,6-Diiodo-3-methyl-4-nitroaniline
Property Insights of 2,6-Diiodo-3-methyl-4-nitroaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diiodo-3-methyl-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diiodo-3-methyl-4-nitroaniline. Following Lipinski's Rule of Five, 2,6-Diiodo-3-methyl-4-nitroaniline has 1 hydrogen bond donor(s) and 3 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 2,6-Diiodo-3-methyl-4-nitroaniline?
The CAS number of 2,6-Diiodo-3-methyl-4-nitroaniline is 6131-75-5.
What is the molecular formula of 2,6-Diiodo-3-methyl-4-nitroaniline?
The molecular formula of 2,6-Diiodo-3-methyl-4-nitroaniline is C7H6I2N2O2.
What is the molecular weight of 2,6-Diiodo-3-methyl-4-nitroaniline?
The molecular weight of 2,6-Diiodo-3-methyl-4-nitroaniline is 403.85 g/mol.
Where can I buy 2,6-Diiodo-3-methyl-4-nitroaniline?
You can request a quote for 2,6-Diiodo-3-methyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diiodo-3-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diiodo-3-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.