Ar,ar,ar-trinitrobenzenetriamine
TL;DR: Ar,ar,ar-trinitrobenzenetriamine (CAS 67539-61-1) is a chemical compound with molecular formula C6H6N6O6 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trinitrobenzene-1,2,3-triamine
Also Known As: triaminotrinitrobenzene, ar,ar,ar-Trinitrobenzenetriamine, EINECS 266-714-1, 4,5,6-trinitrobenzene-1,2,3-triamine, 266-714-1
| Molecular Formula | C6H6N6O6 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 0.1578 |
| Topological Polar Surface Area | 207.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.03488 |
| Heavy Atoms | 18 |
| Complexity | 541.4158 |
Chemical Identifiers
| CAS Number | 67539-61-1 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N)N |
Product Overview
Ar,ar,ar-trinitrobenzenetriamine (CAS 67539-61-1), with molecular formula C6H6N6O6 and molecular weight 258.03 g/mol. IUPAC: 4,5,6-trinitrobenzene-1,2,3-triamine.
Chemical Property Profile of Ar,ar,ar-trinitrobenzenetriamine
Property Insights of Ar,ar,ar-trinitrobenzenetriamine
The XLogP value of 0.1578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ar,ar,ar-trinitrobenzenetriamine. The TPSA of 207.48 Ų indicates high polarity, suggesting Ar,ar,ar-trinitrobenzenetriamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ar,ar,ar-trinitrobenzenetriamine has 3 hydrogen bond donor(s) and 9 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 Ar,ar,ar-trinitrobenzenetriamine?
The CAS number of Ar,ar,ar-trinitrobenzenetriamine is 67539-61-1.
What is the molecular formula of Ar,ar,ar-trinitrobenzenetriamine?
The molecular formula of Ar,ar,ar-trinitrobenzenetriamine is C6H6N6O6.
What is the molecular weight of Ar,ar,ar-trinitrobenzenetriamine?
The molecular weight of Ar,ar,ar-trinitrobenzenetriamine is 258.03 g/mol.
Where can I buy Ar,ar,ar-trinitrobenzenetriamine?
You can request a quote for Ar,ar,ar-trinitrobenzenetriamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ar,ar,ar-trinitrobenzenetriamine?
Yes, KEHONG BIO provides custom synthesis services for Ar,ar,ar-trinitrobenzenetriamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.