RefChem:548660
TL;DR: RefChem:548660 (CAS 72275-97-9) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4,5-dihydroxy-8-(hydroxymethylamino)anthracene-9,10-dione
Also Known As: 9,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-((hydroxymethyl)amino)-, 1-Amino-4,5(or 4,8)-dihydroxy-8(or 5)-((hydroxymethyl)amino)anthraquinone, 1-amino-4,5-dihydroxy-8-(hydroxymethylamino)anthracene-9,10-dione, 9,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-[(hydroxymethyl)amino]-, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-[(hydroxymethyl)amino]anthraquinone
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 72275-97-9 |
|---|---|
| SMILES | C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)NCO)O |
| InChIKey | RBHYYUCRMUOUNL-UHFFFAOYSA-N |
Product Overview
RefChem:548660 (CAS 72275-97-9), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: 1-amino-4,5-dihydroxy-8-(hydroxymethylamino)anthracene-9,10-dione.
Chemical Property Profile of RefChem:548660
Property Insights of RefChem:548660
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:548660. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:548660. Following Lipinski's Rule of Five, RefChem:548660 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 RefChem:548660?
The CAS number of RefChem:548660 is 72275-97-9.
What is the molecular formula of RefChem:548660?
The molecular formula of RefChem:548660 is C15H12N2O5.
What is the molecular weight of RefChem:548660?
The molecular weight of RefChem:548660 is 300.07 g/mol.
Where can I buy RefChem:548660?
You can request a quote for RefChem:548660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548660?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.