1-Amino-2-bromo-4-o-toluidinoanthraquinone
TL;DR: 1-Amino-2-bromo-4-o-toluidinoanthraquinone (CAS 1564-70-1) is a chemical compound with molecular formula C21H15BrN2O2 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2-bromo-4-(2-methylanilino)anthracene-9,10-dione
Also Known As: 1-Amino-2-bromo-4-o-toluidinoanthraquinone, 1-amino-2-bromo-4-(2-methylanilino)anthracene-9,10-dione, 1-Amino-2-brom-4-o-tolyl-aminoanthrachinon, 1-Amino-2-bromo-4-(o-toluidino)anthraquinone, 1-amino-2-bromo-4-(o-tolylamino)anthracene-9,10-dione
| Molecular Formula | C21H15BrN2O2 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.03168 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 1564-70-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br |
| InChIKey | TVSTYTRBNPXKHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-2-bromo-4-o-toluidinoanthraquinone (CAS 1564-70-1), with molecular formula C21H15BrN2O2 and molecular weight 406.03 g/mol. IUPAC: 1-amino-2-bromo-4-(2-methylanilino)anthracene-9,10-dione.
Chemical Property Profile of 1-Amino-2-bromo-4-o-toluidinoanthraquinone
Property Insights of 1-Amino-2-bromo-4-o-toluidinoanthraquinone
The XLogP value of 5.9 indicates that 1-Amino-2-bromo-4-o-toluidinoanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2-bromo-4-o-toluidinoanthraquinone. Following Lipinski's Rule of Five, 1-Amino-2-bromo-4-o-toluidinoanthraquinone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Amino-2-bromo-4-o-toluidinoanthraquinone?
The CAS number of 1-Amino-2-bromo-4-o-toluidinoanthraquinone is 1564-70-1.
What is the molecular formula of 1-Amino-2-bromo-4-o-toluidinoanthraquinone?
The molecular formula of 1-Amino-2-bromo-4-o-toluidinoanthraquinone is C21H15BrN2O2.
What is the molecular weight of 1-Amino-2-bromo-4-o-toluidinoanthraquinone?
The molecular weight of 1-Amino-2-bromo-4-o-toluidinoanthraquinone is 406.03 g/mol.
Where can I buy 1-Amino-2-bromo-4-o-toluidinoanthraquinone?
You can request a quote for 1-Amino-2-bromo-4-o-toluidinoanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-2-bromo-4-o-toluidinoanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-2-bromo-4-o-toluidinoanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.