1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt
TL;DR: 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt (CAS 67970-27-8) is a chemical compound with molecular formula C28H28N4O8S2 and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;5-methyl-2-[[4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
Also Known As: 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt, Diammonium 4,4'-((9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(toluene-3-sulphonate), 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(5-methylbenzenesulfonic acid) diammoniate, Benzenesulfonic acid, 2,2'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(5-methyl-, diammonium salt, azane; 5-methyl-2-[[4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
| Molecular Formula | C28H28N4O8S2 |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | 5.38 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.1348 |
| Heavy Atoms | 42 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 67970-27-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)O.N.N |
| InChIKey | NDNAQHQCCGODHB-UHFFFAOYSA-N |
Product Overview
1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt (CAS 67970-27-8), with molecular formula C28H28N4O8S2 and molecular weight 612.13 g/mol. IUPAC: azane;5-methyl-2-[[4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid.
Chemical Property Profile of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt
Property Insights of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt
The XLogP value of 5.38 indicates that 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt has 6 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 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt?
The CAS number of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt is 67970-27-8.
What is the molecular formula of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt?
The molecular formula of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt is C28H28N4O8S2.
What is the molecular weight of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt?
The molecular weight of 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt is 612.13 g/mol.
Where can I buy 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt?
You can request a quote for 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-sulfo-p-toluidino)anthraquinone, diammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.