RefChem:548708
TL;DR: RefChem:548708 (CAS 52671-38-2) is a chemical compound with molecular formula C38H20N6O6 and molecular weight 656.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2-[5-[4-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione
Also Known As: 2-butan-2-yl-4-methylphenol, 2,2'-(p-Phenylenebis(1,3,4-oxadiazole-5,2-diyl))bis(1-aminoanthraquinone), 9,10-Anthracenedione, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-amino-, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-aminoanthraquinone], 9,10-Anthracenedione, 2,2'-(1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl))bis(1-amino-
| Molecular Formula | C38H20N6O6 |
|---|---|
| Molecular Weight | 656.14 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 656.1444 |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 52671-38-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=CC=C(C=C5)C6=NN=C(O6)C7=C(C8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)N)N |
| InChIKey | KURKYSBFMTWTAP-UHFFFAOYSA-N |
Product Overview
RefChem:548708 (CAS 52671-38-2), with molecular formula C38H20N6O6 and molecular weight 656.14 g/mol. IUPAC: 1-amino-2-[5-[4-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione.
Chemical Property Profile of RefChem:548708
Property Insights of RefChem:548708
The XLogP value of 5.9 indicates that RefChem:548708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting RefChem:548708 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:548708 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:548708?
The CAS number of RefChem:548708 is 52671-38-2.
What is the molecular formula of RefChem:548708?
The molecular formula of RefChem:548708 is C38H20N6O6.
What is the molecular weight of RefChem:548708?
The molecular weight of RefChem:548708 is 656.14 g/mol.
Where can I buy RefChem:548708?
You can request a quote for RefChem:548708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.