Anhraquinone Brilliant Red N 8S
TL;DR: Anhraquinone Brilliant Red N 8S (CAS 39291-15-1) is a chemical compound with molecular formula C36H32N2Na2O8S2 and molecular weight 730.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-butyl-2-[[14-(4-butyl-2-sulfonatophenyl)-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzenesulfonate
Also Known As: Anhraquinone Brilliant Red N 8S, Acid Brilliant Red Anhraquinone N 8S, Benzenesulfonic acid, 5-butyl-2-(6-((4-butyl-2-sulfophenyl)amino)-2,7-dihydro-2,7-dioxo-3H-dibenz(f,ij)isoquinolin-3-yl)-, disodium salt, 5-Butyl-2-(6-((4-butyl-2-sulfonatophenyl)amino)-2,7-dioxo-2,7-dihydro-3H-naphtho(1,2,3-de)quinolin-3-yl)benzenesulfonate, Disodium 5-butyl-2-[6-(4-butyl-2-sulfonatoanilino)-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-3-yl]benzene-1-sulfonate
| Molecular Formula | C36H32N2Na2O8S2 |
|---|---|
| Molecular Weight | 730.14 g/mol |
| LogP | 0.4471 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 730.1395 |
| Heavy Atoms | 50 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 39291-15-1 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C6=C(C=C(C=C6)CCCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | NETSILBVUILYOP-UHFFFAOYSA-L |
Product Overview
Anhraquinone Brilliant Red N 8S (CAS 39291-15-1), with molecular formula C36H32N2Na2O8S2 and molecular weight 730.14 g/mol. IUPAC: disodium;5-butyl-2-[[14-(4-butyl-2-sulfonatophenyl)-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl]amino]benzenesulfonate.
Chemical Property Profile of Anhraquinone Brilliant Red N 8S
Property Insights of Anhraquinone Brilliant Red N 8S
The XLogP value of 0.4471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anhraquinone Brilliant Red N 8S. The TPSA of 181.0 Ų indicates high polarity, suggesting Anhraquinone Brilliant Red N 8S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anhraquinone Brilliant Red N 8S has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anhraquinone Brilliant Red N 8S?
The CAS number of Anhraquinone Brilliant Red N 8S is 39291-15-1.
What is the molecular formula of Anhraquinone Brilliant Red N 8S?
The molecular formula of Anhraquinone Brilliant Red N 8S is C36H32N2Na2O8S2.
What is the molecular weight of Anhraquinone Brilliant Red N 8S?
The molecular weight of Anhraquinone Brilliant Red N 8S is 730.14 g/mol.
Where can I buy Anhraquinone Brilliant Red N 8S?
You can request a quote for Anhraquinone Brilliant Red N 8S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhraquinone Brilliant Red N 8S?
Yes, KEHONG BIO provides custom synthesis services for Anhraquinone Brilliant Red N 8S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.