2,3,6-Trinitrophenol
TL;DR: 2,3,6-Trinitrophenol (CAS 603-10-1) is a chemical compound with molecular formula C6H3N3O7 and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trinitrophenol
Also Known As: 2,3,6-Trinitrophenol, Phenol, 2,3,6-trinitro-, 2,3,6-Trinitro-phenol, Epitope ID:136774, DIMETHYLMETHOXYMALONATE
| Molecular Formula | C6H3N3O7 |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 1.1168 |
| Topological Polar Surface Area | 149.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.9971 |
| Heavy Atoms | 16 |
| Complexity | 497.1407 |
Chemical Identifiers
| CAS Number | 603-10-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
2,3,6-Trinitrophenol (CAS 603-10-1), with molecular formula C6H3N3O7 and molecular weight 229.00 g/mol. IUPAC: 2,3,6-trinitrophenol.
Chemical Property Profile of 2,3,6-Trinitrophenol
Property Insights of 2,3,6-Trinitrophenol
The XLogP value of 1.1168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trinitrophenol. The TPSA of 149.65 Ų indicates high polarity, suggesting 2,3,6-Trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,6-Trinitrophenol has 1 hydrogen bond donor(s) and 7 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 2,3,6-Trinitrophenol?
The CAS number of 2,3,6-Trinitrophenol is 603-10-1.
What is the molecular formula of 2,3,6-Trinitrophenol?
The molecular formula of 2,3,6-Trinitrophenol is C6H3N3O7.
What is the molecular weight of 2,3,6-Trinitrophenol?
The molecular weight of 2,3,6-Trinitrophenol is 229.00 g/mol.
Where can I buy 2,3,6-Trinitrophenol?
You can request a quote for 2,3,6-Trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.