RefChem:548611
TL;DR: RefChem:548611 (CAS 68516-76-7) is a chemical compound with molecular formula C31H28N2O2 and molecular weight 460.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
Also Known As: 1-[ amino]-4-[ amino]anthraquinone, 9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-, 1-[(2,4-dimethylphenyl)amino]-4-(mesitylamino)-9,10-anthraquinone, 9,10-Anthracenedione, 1-((2,4-dimethylphenyl)amino)-4-((2,4,6-trimethylphenyl)amino)-, 1-(2,4-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
| Molecular Formula | C31H28N2O2 |
|---|---|
| Molecular Weight | 460.22 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.2151 |
| Heavy Atoms | 35 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 68516-76-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4C)C)C)C(=O)C5=CC=CC=C5C3=O)C |
| InChIKey | DDWVBJNBOANWJV-UHFFFAOYSA-N |
Product Overview
RefChem:548611 (CAS 68516-76-7), with molecular formula C31H28N2O2 and molecular weight 460.22 g/mol. IUPAC: 1-(2,4-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione.
Chemical Property Profile of RefChem:548611
Property Insights of RefChem:548611
The XLogP value of 8.9 indicates that RefChem:548611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:548611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:548611 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 RefChem:548611?
The CAS number of RefChem:548611 is 68516-76-7.
What is the molecular formula of RefChem:548611?
The molecular formula of RefChem:548611 is C31H28N2O2.
What is the molecular weight of RefChem:548611?
The molecular weight of RefChem:548611 is 460.22 g/mol.
Where can I buy RefChem:548611?
You can request a quote for RefChem:548611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.