Austrocortirubin
TL;DR: Austrocortirubin (CAS 112926-20-2) is a chemical compound with molecular formula C16H16O7 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
Also Known As: Austrocortirubin, (1S,3S)-Austrocortirubin, NCI60_008303, (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione, (7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydroanthracene-1,4-dione
| Molecular Formula | C16H16O7 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 0.7377 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.0896 |
| Heavy Atoms | 23 |
| Complexity | 773.36884 |
Chemical Identifiers
| CAS Number | 112926-20-2 |
|---|---|
| SMILES | C[C@]1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C=C(C3=O)OC)O)O)O |
Product Overview
Austrocortirubin (CAS 112926-20-2), with molecular formula C16H16O7 and molecular weight 320.09 g/mol. IUPAC: (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione.
Chemical Property Profile of Austrocortirubin
Property Insights of Austrocortirubin
The XLogP value of 0.7377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Austrocortirubin. The TPSA of 124.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Austrocortirubin. Following Lipinski's Rule of Five, Austrocortirubin 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 Austrocortirubin?
The CAS number of Austrocortirubin is 112926-20-2.
What is the molecular formula of Austrocortirubin?
The molecular formula of Austrocortirubin is C16H16O7.
What is the molecular weight of Austrocortirubin?
The molecular weight of Austrocortirubin is 320.09 g/mol.
Where can I buy Austrocortirubin?
You can request a quote for Austrocortirubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austrocortirubin?
Yes, KEHONG BIO provides custom synthesis services for Austrocortirubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.