Theasinensin
TL;DR: Theasinensin (CAS 116310-05-5) is a chemical compound with molecular formula C36H28O17 and molecular weight 732.1326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R)-2-[3a,5,6-trihydroxy-3-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8bH-cyclopenta[b][1]benzofuran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Theasinensin, (2R,3R)-2-[1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, [(2R,3R)-2-[3a,5,6-trihydroxy-3-oxo-1-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]-8bH-cyclopenta[b]benzofuran-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate, (2R,3R)-2-(1-((2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta(b)benzofuran-8-yl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, [(2R,3R)-2-[3a,5,6-trihydroxy-3-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8bH-cyclopenta[b][1]benzofuran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C36H28O17 |
| Molecular Weight | 732.1326 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 294.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 732.1326 Da |
| Heavy Atoms | 53 |
| Complexity | 1430.0 |
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5=C(O4)C(=C(C=C5[C@@H]6[C@@H](CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)O |
| InChIKey | BEHKEBMWHIDHDT-ZTSGSCMSSA-N |
Product Description
Applications: Theasinensin is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Theasinensin (CAS 116310-05-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Theasinensin is a pharmaceutical intermediate identified by CAS number 116310-05-5 and the molecular formula C36H28O17 and a molecular weight of 732.13 g/mol. It is also known as Theasinensin and (2R,3R)-2-[1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate.
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 Theasinensin
Property Insights of Theasinensin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theasinensin. The TPSA of 294.0 Ų indicates high polarity, suggesting Theasinensin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theasinensin has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Theasinensin?
The CAS number of Theasinensin is 116310-05-5.
What is the molecular formula of Theasinensin?
The molecular formula of Theasinensin is C36H28O17.
What is the molecular weight of Theasinensin?
The molecular weight of Theasinensin is 732.1326 g/mol.
What are the applications of Theasinensin?
Theasinensin is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Theasinensin (CAS 116310-05-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS,...
Where can I buy Theasinensin?
You can request a quote for Theasinensin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theasinensin?
Yes, CoreyChem provides custom synthesis services for Theasinensin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.