Thermorubin
TL;DR: Thermorubin (CAS 11006-83-0) is a chemical compound with molecular formula C32H24O12 and molecular weight 600.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-
| Molecular Formula | C32H24O12 |
|---|---|
| Molecular Weight | 600.13 g/mol |
| LogP | 4.7233 |
| Topological Polar Surface Area | 190.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.1268 |
| Heavy Atoms | 44 |
| Complexity | 2120.7527 |
Chemical Identifiers
| CAS Number | 11006-83-0 |
|---|---|
| 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 |
Product Overview
Thermorubin (CAS 11006-83-0), with molecular formula C32H24O12 and molecular weight 600.13 g/mol. IUPAC: 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.
Chemical Property Profile of Thermorubin
Property Insights of Thermorubin
The XLogP value of 4.7233 indicates that Thermorubin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.03 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 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 600.13 g/mol.
Where can I buy Thermorubin?
You can request a quote for Thermorubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thermorubin?
Yes, KEHONG BIO provides custom synthesis services for Thermorubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.