Acid blue 47 free acid
TL;DR: Acid blue 47 free acid (CAS 27711-76-8) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
Also Known As: Acid blue 47 free acid, 4-((4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonic acid, 2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid, 2-[(4-AMINO-3-METHYL-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)AMINO]-5-METHYLBENZENE-1-SULFONIC ACID, Benzenesulfonic acid, 2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 27711-76-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O |
| InChIKey | NPTFPGVUCJVNBW-UHFFFAOYSA-N |
Product Overview
Acid blue 47 free acid (CAS 27711-76-8), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: 2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid.
Chemical Property Profile of Acid blue 47 free acid
Property Insights of Acid blue 47 free acid
The XLogP value of 4.3 indicates that Acid blue 47 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acid blue 47 free acid. Following Lipinski's Rule of Five, Acid blue 47 free acid has 3 hydrogen bond donor(s) and 7 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 Acid blue 47 free acid?
The CAS number of Acid blue 47 free acid is 27711-76-8.
What is the molecular formula of Acid blue 47 free acid?
The molecular formula of Acid blue 47 free acid is C22H18N2O5S.
What is the molecular weight of Acid blue 47 free acid?
The molecular weight of Acid blue 47 free acid is 422.09 g/mol.
Where can I buy Acid blue 47 free acid?
You can request a quote for Acid blue 47 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid blue 47 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid blue 47 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.