Alizarine Rubine R
TL;DR: Alizarine Rubine R (CAS 4478-76-6) is a chemical compound with molecular formula C24H18N2O5S and molecular weight 446.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(14-methyl-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]benzenesulfonic acid
Also Known As: Alizarine Rubine R, Acid Red 80, 5-methyl-2-[(3-methyl-2,7-dioxo-2,7-dihydro-3h-naphtho[1,2,3-de]quinolin-6-yl)amino]benzenesulfonic acid, 3-Methyl-6-(2-sulfo-4-methylanilino)-7H-dibenz[f,ij]isoquinoline-2,7(3H)-dione, 2-[(2,7-Dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methylbenzenesulfonic acid
| Molecular Formula | C24H18N2O5S |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.09363 |
| Heavy Atoms | 32 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 4478-76-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C)S(=O)(=O)O |
| InChIKey | UBBCSDOKROBQLR-UHFFFAOYSA-N |
Product Overview
Alizarine Rubine R (CAS 4478-76-6), with molecular formula C24H18N2O5S and molecular weight 446.09 g/mol. IUPAC: 5-methyl-2-[(14-methyl-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]benzenesulfonic acid.
Chemical Property Profile of Alizarine Rubine R
Property Insights of Alizarine Rubine R
The XLogP value of 3.4 indicates that Alizarine Rubine R is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alizarine Rubine R. Following Lipinski's Rule of Five, Alizarine Rubine R has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alizarine Rubine R?
The CAS number of Alizarine Rubine R is 4478-76-6.
What is the molecular formula of Alizarine Rubine R?
The molecular formula of Alizarine Rubine R is C24H18N2O5S.
What is the molecular weight of Alizarine Rubine R?
The molecular weight of Alizarine Rubine R is 446.09 g/mol.
Where can I buy Alizarine Rubine R?
You can request a quote for Alizarine Rubine R directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alizarine Rubine R?
Yes, KEHONG BIO provides custom synthesis services for Alizarine Rubine R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.