Thermorubin
TL;DR: Thermorubin (CAS 11006-83-0) is a chemical compound with molecular formula C32H24O12 and molecular weight 600.1268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid
Also Known As: Thermorubin, Thermorubin A, Thermorbin, THERMORUBIN [MI], 1H-Anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-
Technical Specifications
| Molecular Formula | C32H24O12 |
| Molecular Weight | 600.1268 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 600.1268 Da |
| Heavy Atoms | 44 |
| Complexity | 1190.0 |
| SMILES | COC1=C2C(=CC3=CC(=C(C(=C31)OC)C(=O)/C=C(/C4=CC=CC=C4O)\O)CC(=O)O)C=C5C=C(OC(=O)C5=C2O)C(=O)OC |
| InChIKey | GGEDVBUCHDZLTH-MOSHPQCFSA-N |
Chemical Property Profile of Thermorubin
Property Insights of Thermorubin
The XLogP value of 5.5 indicates that Thermorubin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Thermorubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thermorubin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thermorubin?
The CAS number of Thermorubin is 11006-83-0.
What is the molecular formula of Thermorubin?
The molecular formula of Thermorubin is C32H24O12.
What is the molecular weight of Thermorubin?
The molecular weight of Thermorubin is 600.1268 g/mol.
Where can I buy Thermorubin?
You can request a quote for Thermorubin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thermorubin?
Yes, CoreyChem provides custom synthesis services for Thermorubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.