1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)
TL;DR: 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) (CAS 13255-27-1) is a chemical compound with molecular formula C6HMgN3O8 and molecular weight 266.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium 2,4,6-trinitrobenzene-1,3-diolate
Also Known As: Magnesium styphnate, Magnesium 2,4,6-trinitroresorcinolate, Styphninsaeure,Magnesium-Salz, 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1), magnesium 2,4,6-trinitrobenzene-1,3-diolate
| Molecular Formula | C6HMgN3O8 |
|---|---|
| Molecular Weight | 266.96 g/mol |
| LogP | -0.82 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.9614 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 13255-27-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Mg+2] |
| InChIKey | NVYSURDBVCQFBV-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) (CAS 13255-27-1), with molecular formula C6HMgN3O8 and molecular weight 266.96 g/mol. IUPAC: magnesium 2,4,6-trinitrobenzene-1,3-diolate.
Chemical Property Profile of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)
Property Insights of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)
The XLogP value of -0.82 indicates that 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) has 0 hydrogen bond donor(s) and 8 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 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)?
The CAS number of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) is 13255-27-1.
What is the molecular formula of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)?
The molecular formula of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) is C6HMgN3O8.
What is the molecular weight of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)?
The molecular weight of 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) is 266.96 g/mol.
Where can I buy 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)?
You can request a quote for 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.