![[1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid structure](/static/products/195/19580-70-2.png)
[1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid
TL;DR: [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid (CAS 19580-70-2) is a chemical compound with molecular formula C30H18N6O21S6 and molecular weight 989.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,15,32-trioxo-2,3,12,13,22,23-hexazaheptacyclo[22.6.2.24,7.214,17.06,11.016,21.027,31]hexatriaconta-1(31),3,6(11),7,9,13,16(21),17,19,23,25,27,29,33,35-pentadecaene-9,19,25,29,34,36-hexasulfonic acid
Also Known As: [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid
| Molecular Formula | C30H18N6O21S6 |
|---|---|
| Molecular Weight | 989.88 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 501.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 6 |
| Exact Mass | 989.88495 |
| Heavy Atoms | 63 |
| Complexity | 2630.0 |
Chemical Identifiers
| CAS Number | 19580-70-2 |
|---|---|
| SMILES | C1=C2C=C(C3=NNC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C(=NNC6=C7C(=CC(=C6)S(=O)(=O)O)C=C(C(=NNC(=C2C3=O)C=C1S(=O)(=O)O)C7=O)S(=O)(=O)O)C5=O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VSGKCXPVBCOGKU-UHFFFAOYSA-N |
Product Overview
[1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid (CAS 19580-70-2), with molecular formula C30H18N6O21S6 and molecular weight 989.88 g/mol. IUPAC: 5,15,32-trioxo-2,3,12,13,22,23-hexazaheptacyclo[22.6.2.24,7.214,17.06,11.016,21.027,31]hexatriaconta-1(31),3,6(11),7,9,13,16(21),17,19,23,25,27,29,33,35-pentadecaene-9,19,25,29,34,36-hexasulfonic acid.
Chemical Property Profile of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid
Property Insights of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid
The XLogP value of -2.3 indicates that [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 501.0 Ų indicates high polarity, suggesting [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid has 9 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid?
The CAS number of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid is 19580-70-2.
What is the molecular formula of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid?
The molecular formula of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid is C30H18N6O21S6.
What is the molecular weight of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid?
The molecular weight of [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid is 989.88 g/mol.
Where can I buy [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid?
You can request a quote for [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for [1~7~(9)E,3(4~7~)E,6(7~7~)E]-1~8~,4~8~,7~8~-Trioxo-1~8~H,4~8~H,7~8~H-2,3,5,6,8,9-hexaaza-1(1,7),4,7(7,1)-trinaphthalenacyclononaphane-3,6,9-triene-1~3~,1~6~,4~3~,4~6~,7~3~,7~6~-hexasulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.