C.I.62026
TL;DR: C.I.62026 (CAS 72987-59-8) is a chemical compound with molecular formula C26H16N2Na2O10S2 and molecular weight 626.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[1,4-diamino-9,10-dioxo-3-(4-sulfonatophenoxy)anthracen-2-yl]oxybenzenesulfonate
Also Known As: C.I.62026, disodium4,4'-[ bis ]bis[benzenesulphonate], 2,3-Bis((4-sulfophenyl)oxy)-1,4-diaminoanthracenedione, disodium salt, Benzenesulfonic acid, 4,4'-((1,4-diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenediyl)bis(oxy))bis-, disodium salt, Benzenesulfonic acid, 4,4'-((1,4-diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenediyl)bis(oxy))bis-, sodium salt (1:2)
| Molecular Formula | C26H16N2Na2O10S2 |
|---|---|
| Molecular Weight | 626.00 g/mol |
| LogP | -2.9728 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 626.00415 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 72987-59-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)OC4=CC=C(C=C4)S(=O)(=O)[O-])OC5=CC=C(C=C5)S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | JJSCWNMFFCKNEU-UHFFFAOYSA-L |
Product Overview
C.I.62026 (CAS 72987-59-8), with molecular formula C26H16N2Na2O10S2 and molecular weight 626.00 g/mol. IUPAC: disodium;4-[1,4-diamino-9,10-dioxo-3-(4-sulfonatophenoxy)anthracen-2-yl]oxybenzenesulfonate.
Chemical Property Profile of C.I.62026
Property Insights of C.I.62026
The XLogP value of -2.9728 indicates that C.I.62026 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting C.I.62026 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I.62026 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I.62026?
The CAS number of C.I.62026 is 72987-59-8.
What is the molecular formula of C.I.62026?
The molecular formula of C.I.62026 is C26H16N2Na2O10S2.
What is the molecular weight of C.I.62026?
The molecular weight of C.I.62026 is 626.00 g/mol.
Where can I buy C.I.62026?
You can request a quote for C.I.62026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I.62026?
Yes, KEHONG BIO provides custom synthesis services for C.I.62026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.