RefChem:548673
TL;DR: RefChem:548673 (CAS 35940-77-3) is a chemical compound with molecular formula C28H17N3O4 and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-amino-9,10-dihydroxyanthracen-1-yl)imino-4-iminoanthracene-9,10-dione
Also Known As: 4,5'-Diamino-1,1'-iminobis(anthraquinone), 9,10-Anthracenedione, 1,1'-iminobis(5-amino-, 9,10-Anthracenedione, 1-amino-4-[(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-, 4,5 -Diamino[1,1 -iminobis(9,10-anthraquinone)], 9,10-Anthracenedione, 1-amino-4-((5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
| Molecular Formula | C28H17N3O4 |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 459.12192 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 35940-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=NC4=CC=CC5=C(C6=C(C=CC=C6N)C(=C54)O)O)C=CC3=N |
| InChIKey | UVZWFBKBWMBJSA-UHFFFAOYSA-N |
Product Overview
RefChem:548673 (CAS 35940-77-3), with molecular formula C28H17N3O4 and molecular weight 459.12 g/mol. IUPAC: 1-(5-amino-9,10-dihydroxyanthracen-1-yl)imino-4-iminoanthracene-9,10-dione.
Chemical Property Profile of RefChem:548673
Property Insights of RefChem:548673
The XLogP value of 5.0 indicates that RefChem:548673 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:548673. Following Lipinski's Rule of Five, RefChem:548673 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
Frequently Asked Questions
What is the CAS number of RefChem:548673?
The CAS number of RefChem:548673 is 35940-77-3.
What is the molecular formula of RefChem:548673?
The molecular formula of RefChem:548673 is C28H17N3O4.
What is the molecular weight of RefChem:548673?
The molecular weight of RefChem:548673 is 459.12 g/mol.
Where can I buy RefChem:548673?
You can request a quote for RefChem:548673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548673?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.