![4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate structure](/static/products/266/2666-17-3.png)
4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate
TL;DR: 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate (CAS 2666-17-3) is a chemical compound with molecular formula C23H18N3O6S- and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate
Also Known As: Lanaperl Blue B, Fenalan Blue B, Kayacyl Blue BR, Superan Blue AR, Alizarine Blue A
| Molecular Formula | C23H18N3O6S- |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 2.6746 |
| Topological Polar Surface Area | 149.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.09164 |
| Heavy Atoms | 33 |
| Complexity | 1445.7637 |
Chemical Identifiers
| CAS Number | 2666-17-3 |
|---|---|
| SMILES | CC(=O)N(C)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-] |
Product Overview
4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate (CAS 2666-17-3), with molecular formula C23H18N3O6S- and molecular weight 464.09 g/mol. IUPAC: 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate
Property Insights of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate
The XLogP value of 2.6746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate. The TPSA of 149.7 Ų indicates high polarity, suggesting 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate has 2 hydrogen bond donor(s) and 8 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 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate?
The CAS number of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate is 2666-17-3.
What is the molecular formula of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate?
The molecular formula of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate is C23H18N3O6S-.
What is the molecular weight of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate?
The molecular weight of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate is 464.09 g/mol.
Where can I buy 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate?
You can request a quote for 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.