Theasinensin F
TL;DR: Theasinensin F (CAS 116329-55-6) is a chemical compound with molecular formula C44H34O21 and molecular weight 898.15924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Theasinensin F, Theasinensin, J2.552.409H, [(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate, ((2R,3R)-2-(2-(6-((2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl)-2,3,4-trihydroxyphenyl)-4,5-dihydroxyphenyl)-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 | C44H34O21 |
| Molecular Weight | 898.15924 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 375.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 898.15924 Da |
| Heavy Atoms | 65 |
| Complexity | 1620.0 |
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3C4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| InChIKey | JLFHSPGTENNODT-WLDZFSAMSA-N |
Chemical Property Profile of Theasinensin F
Property Insights of Theasinensin F
The XLogP value of 4.5 indicates that Theasinensin F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 375.0 Ų indicates high polarity, suggesting Theasinensin F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theasinensin F has 15 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Theasinensin F?
The CAS number of Theasinensin F is 116329-55-6.
What is the molecular formula of Theasinensin F?
The molecular formula of Theasinensin F is C44H34O21.
What is the molecular weight of Theasinensin F?
The molecular weight of Theasinensin F is 898.15924 g/mol.
Where can I buy Theasinensin F?
You can request a quote for Theasinensin F directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theasinensin F?
Yes, CoreyChem provides custom synthesis services for Theasinensin F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.