Cinerubin X
TL;DR: Cinerubin X (CAS 104700-84-7) is a chemical compound with molecular formula C40H48O16 and molecular weight 784.29425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-ethyl-2,5,7,10-tetrahydroxy-4-[5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Cinerubin X, Ethylene glycol-13C2, methyl 2-ethyl-2,5,7,10-tetrahydroxy-4-[5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 4-((5-((2,6-dideoxy-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta(2R*,5S*(2R*,6S*),6S*)))-, Methyl 4-[(5-{[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]oxy}-6-methyloxan-2-yl)oxy]-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Technical Specifications
| Molecular Formula | C40H48O16 |
| Molecular Weight | 784.29425 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 784.29425 Da |
| Heavy Atoms | 56 |
| Complexity | 1480.0 |
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CCC(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)O |
| InChIKey | MOJNCDRIHYDVBS-UHFFFAOYSA-N |
Product Description
Applications: Cinerubin X is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Cinerubin X (CAS 104700-84-7) has the molecular formula C40H48O16 and a molecular weight of 784.29 g/mol. Synonyms include Cinerubin X and Ethylene glycol-13C2.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cinerubin X
Property Insights of Cinerubin X
The XLogP value of 4.3 indicates that Cinerubin X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting Cinerubin X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinerubin X has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cinerubin X?
The CAS number of Cinerubin X is 104700-84-7.
What is the molecular formula of Cinerubin X?
The molecular formula of Cinerubin X is C40H48O16.
What is the molecular weight of Cinerubin X?
The molecular weight of Cinerubin X is 784.29425 g/mol.
What are the applications of Cinerubin X?
Cinerubin X is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Cinerubin X?
You can request a quote for Cinerubin X directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinerubin X?
Yes, CoreyChem provides custom synthesis services for Cinerubin X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.