2,6-二氨基-4-硝基甲苯
TL;DR: 2,6-二氨基-4-硝基甲苯 (CAS 59229-75-3) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氨基-4-硝基甲苯
2-methyl-5-nitrobenzene-1,3-diamine
Also Known As: 2,6-Diamino-4-nitrotoluene, 2-methyl-5-nitrobenzene-1,3-diamine, 4-Nitro-2,6-toluenediamine, 4-Nitrotoluene-2,6-diamine, 2,6-Diamino-1-methyl-4-nitrobenzene
| Molecular Formula | C7H9N3O2 |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.06947 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 59229-75-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1N)[N+](=O)[O-])N |
| InChIKey | SPOWAUDUGZVURQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氨基-4-硝基甲苯 (CAS 59229-75-3), with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol. IUPAC: 2-methyl-5-nitrobenzene-1,3-diamine.
Chemical Property Profile of 2,6-二氨基-4-硝基甲苯
Property Insights of 2,6-二氨基-4-硝基甲苯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氨基-4-硝基甲苯. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-二氨基-4-硝基甲苯. Following Lipinski's Rule of Five, 2,6-二氨基-4-硝基甲苯 has 2 hydrogen bond donor(s) and 4 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 2,6-二氨基-4-硝基甲苯?
The CAS number of 2,6-二氨基-4-硝基甲苯 is 59229-75-3.
What is the molecular formula of 2,6-二氨基-4-硝基甲苯?
The molecular formula of 2,6-二氨基-4-硝基甲苯 is C7H9N3O2.
What is the molecular weight of 2,6-二氨基-4-硝基甲苯?
The molecular weight of 2,6-二氨基-4-硝基甲苯 is 167.07 g/mol.
Where can I buy 2,6-二氨基-4-硝基甲苯?
You can request a quote for 2,6-二氨基-4-硝基甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氨基-4-硝基甲苯?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氨基-4-硝基甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.