9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-
TL;DR: 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- (CAS 67674-27-5) is a chemical compound with molecular formula C21H15BrN2O4 and molecular weight 438.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxyanthracene-9,10-dione
Also Known As: 1-Amino-8-(benzylamino)-2-bromo-4,5-dihydroxyanthraquinone, 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-, 1-amino-2-bromo-4,5-dihydroxy-8-[ amino]anthraquinone, 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-, 1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxyanthracene-9,10-dione
| Molecular Formula | C21H15BrN2O4 |
|---|---|
| Molecular Weight | 438.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.0215 |
| Heavy Atoms | 28 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 67674-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C(=C(C=C4O)Br)N |
| InChIKey | NKSQHTJRIYAPSZ-UHFFFAOYSA-N |
Product Overview
9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- (CAS 67674-27-5), with molecular formula C21H15BrN2O4 and molecular weight 438.02 g/mol. IUPAC: 1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-
Property Insights of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-
The XLogP value of 4.7 indicates that 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- has 4 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 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-?
The CAS number of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- is 67674-27-5.
What is the molecular formula of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-?
The molecular formula of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- is C21H15BrN2O4.
What is the molecular weight of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-?
The molecular weight of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- is 438.02 g/mol.
Where can I buy 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-?
You can request a quote for 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.