1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone
TL;DR: 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone (CAS 13698-89-0) is a chemical compound with molecular formula C21H16N2O5 and molecular weight 376.10593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione
Also Known As: 3-bromo-2-oxocyclohexanecarboxamide, 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone, 1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione, 1,5-Diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthraquinone, 1,5-Diamino-4,8-dihydroxy(p-methoxyphenyl)anthraquinone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H16N2O5 |
| Molecular Weight | 376.10593 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.10593 Da |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O |
| InChIKey | XDWMUDQKNPIWDS-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone
Property Insights of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone
The XLogP value of 3.5 indicates that 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone. Following Lipinski's Rule of Five, 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone?
The CAS number of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone is 13698-89-0.
What is the molecular formula of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone?
The molecular formula of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone is C21H16N2O5.
What is the molecular weight of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone?
The molecular weight of 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone is 376.10593 g/mol.
Where can I buy 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone?
You can request a quote for 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone?
Yes, CoreyChem provides custom synthesis services for 1,5-Diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.