9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-
TL;DR: 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- (CAS 68310-48-5) is a chemical compound with molecular formula C21H16N2O5 and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diamino-4,8-dihydroxy-2-[4-(hydroxymethyl)phenyl]anthracene-9,10-dione
Also Known As: Disperse Blue 127, 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-, 1,5-Diamino-4,8-dihydroxy-2-(hydroxytolyl)anthraquinone, 1,5-diamino-4,8-dihydroxy-2-[4-(hydroxymethyl)phenyl]anthracene-9,10-dione, EINECS 269-715-5
| Molecular Formula | C21H16N2O5 |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.10593 |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 68310-48-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CO)C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O |
| InChIKey | VBPUGATXVPUONO-UHFFFAOYSA-N |
Product Overview
9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- (CAS 68310-48-5), with molecular formula C21H16N2O5 and molecular weight 376.11 g/mol. IUPAC: 1,5-diamino-4,8-dihydroxy-2-[4-(hydroxymethyl)phenyl]anthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-
Property Insights of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-. The TPSA of 147.0 Ų indicates high polarity, suggesting 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- has 5 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 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-?
The CAS number of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- is 68310-48-5.
What is the molecular formula of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-?
The molecular formula of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- is C21H16N2O5.
What is the molecular weight of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-?
The molecular weight of 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- is 376.11 g/mol.
Where can I buy 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-?
You can request a quote for 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- 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, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-2-(hydroxymethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.