![1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane structure](/static/products/5208/52082-72-1.webp)
1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
TL;DR: 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane (CAS 52082-72-1) is a chemical compound with molecular formula C21H18N6O12S3 and molecular weight 642.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
Also Known As: 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane, 1,3,5-Tris(4-nitrobenzene-1-sulfonyl)-1,3,5-triazinane, 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane #, 1,3,5-Triazine,hexahydro-1,3,5-tris[(4-nitrophenyl)sulfonyl], 1,3,5-Tris(p-nitrobenzenesulphonyl)-hexahydro-1,3,5-triazine
| Molecular Formula | C21H18N6O12S3 |
|---|---|
| Molecular Weight | 642.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 642.01447 |
| Heavy Atoms | 42 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 52082-72-1 |
|---|---|
| SMILES | C1N(CN(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | UUDBIJMHIGGYCP-UHFFFAOYSA-N |
Product Overview
1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane (CAS 52082-72-1), with molecular formula C21H18N6O12S3 and molecular weight 642.01 g/mol. IUPAC: 1,3,5-tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane.
Chemical Property Profile of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
Property Insights of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane. The TPSA of 275.0 Ų indicates high polarity, suggesting 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane?
The CAS number of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane is 52082-72-1.
What is the molecular formula of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane?
The molecular formula of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane is C21H18N6O12S3.
What is the molecular weight of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane?
The molecular weight of 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane is 642.01 g/mol.
Where can I buy 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane?
You can request a quote for 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.