Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
TL;DR: Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- (CAS 29850-38-2) is a chemical compound with molecular formula C21H18N6O9S3 and molecular weight 594.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4,6-bis(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, 1,3,5-Triazine-2,4,6-triamine, N,N',N''-tri(3-sulfophenyl)-, 3,3',3''-(1,3,5-Triazine-2,4,6-triyltriimino)tris(benzenesulphonic) acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzenesulfonic acid, 3,3',3''-(1,3,5-Triazine-2,4,6-triyltriimino)tris(benzenesulfonic) acid
| Molecular Formula | C21H18N6O9S3 |
|---|---|
| Molecular Weight | 594.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 263.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.0297 |
| Heavy Atoms | 39 |
| Complexity | 984.0 |
Chemical Identifiers
| CAS Number | 29850-38-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC(=CC=C3)S(=O)(=O)O)NC4=CC(=CC=C4)S(=O)(=O)O |
| InChIKey | DWRLZGBQVFEEKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- (CAS 29850-38-2), with molecular formula C21H18N6O9S3 and molecular weight 594.03 g/mol. IUPAC: 3-[[4,6-bis(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
Property Insights of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-. The TPSA of 263.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- has 6 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 Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
The CAS number of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- is 29850-38-2.
What is the molecular formula of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
The molecular formula of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- is C21H18N6O9S3.
What is the molecular weight of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
The molecular weight of Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- is 594.03 g/mol.
Where can I buy Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
You can request a quote for Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.