Trinitrophloroglucinol
TL;DR: Trinitrophloroglucinol (CAS 4328-17-0) is a chemical compound with molecular formula C6H3N3O9 and molecular weight 260.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trinitrobenzene-1,3,5-triol
Also Known As: Trinitrophloroglucinol, Trinitrophloroglucin, TNPG, Phloroglucinol, trinitro-, 2,4,6-trinitrobenzene-1,3,5-triol
| Molecular Formula | C6H3N3O9 |
|---|---|
| Molecular Weight | 260.99 g/mol |
| LogP | 0.528 |
| Topological Polar Surface Area | 190.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.98694 |
| Heavy Atoms | 18 |
| Complexity | 478.12927 |
Chemical Identifiers
| CAS Number | 4328-17-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1O)[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
Trinitrophloroglucinol (CAS 4328-17-0), with molecular formula C6H3N3O9 and molecular weight 260.99 g/mol. IUPAC: 2,4,6-trinitrobenzene-1,3,5-triol.
Chemical Property Profile of Trinitrophloroglucinol
Property Insights of Trinitrophloroglucinol
The XLogP value of 0.528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trinitrophloroglucinol. The TPSA of 190.11 Ų indicates high polarity, suggesting Trinitrophloroglucinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinitrophloroglucinol 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 Trinitrophloroglucinol?
The CAS number of Trinitrophloroglucinol is 4328-17-0.
What is the molecular formula of Trinitrophloroglucinol?
The molecular formula of Trinitrophloroglucinol is C6H3N3O9.
What is the molecular weight of Trinitrophloroglucinol?
The molecular weight of Trinitrophloroglucinol is 260.99 g/mol.
Where can I buy Trinitrophloroglucinol?
You can request a quote for Trinitrophloroglucinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trinitrophloroglucinol?
Yes, KEHONG BIO provides custom synthesis services for Trinitrophloroglucinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.