1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone
TL;DR: 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone (CAS 3271-98-5) is a chemical compound with molecular formula C28H14O8 and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4,9,10-tetrahydroxyanthracen-2-yl)anthracene-1,4,9,10-tetrone
Also Known As: 3,3 -Biquinizarin, BIM-0047957.P001, J1.788.709B, 1,1',4,4'-tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone, 1,1',4,4'-tetrahydroxy-[2,2'-bianthracene]-9,9',10,10'-tetraone
| Molecular Formula | C28H14O8 |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 2.67678 |
| Topological Polar Surface Area | 149.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 478.06888 |
| Heavy Atoms | 36 |
| Complexity | 2225.0562 |
Chemical Identifiers
| CAS Number | 3271-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C(=CC(=C(C3=C2O)O)C4=CC(=O)C5=C(C4=O)C(=O)C6=CC=CC=C6C5=O)O)O |
Product Overview
1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone (CAS 3271-98-5), with molecular formula C28H14O8 and molecular weight 478.07 g/mol. IUPAC: 2-(1,4,9,10-tetrahydroxyanthracen-2-yl)anthracene-1,4,9,10-tetrone.
Chemical Property Profile of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone
Property Insights of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone
The XLogP value of 2.67678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone. The TPSA of 149.2 Ų indicates high polarity, suggesting 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone has 4 hydrogen bond donor(s) and 8 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 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone?
The CAS number of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone is 3271-98-5.
What is the molecular formula of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone?
The molecular formula of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone is C28H14O8.
What is the molecular weight of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone?
The molecular weight of 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone is 478.07 g/mol.
Where can I buy 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone?
You can request a quote for 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 1,1',4,4'-Tetrahydroxy-2,2'-bianthracene-9,9',10,10'-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.