TL;DR: Beddqe (CAS 120224-11-5) is a chemical compound with molecular formula C31H50O7 and molecular weight 534.35565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
molecular hydrogen;(4S,5R,8S,9S,10S,12R,13R)-1,5,9,12-tetramethyl-10-[[(4S,5R,8S,9S,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
Also Known As: Beddqe, Bis(epideoxydihydroqinghaosu) ether, molecular hydrogen;(4S,5R,8S,9S,10S,12R,13R)-1,5,9,12-tetramethyl-10-[[(4S,5R,8S,9S,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
| Molecular Formula | C31H50O7 |
| Molecular Weight | 534.35565 g/mol |
| XLogP | 6.1919 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 534.35565 Da |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
| SMILES | [HH].C[C@@H]1CC[C@H]2[C@@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(O4)C)O[C@@H]5[C@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@](O5)(OC(O8)(CC7)C)C)C)C)C |
| InChIKey | URVNDLQWACSOET-UDEMOETASA-N |
The XLogP value of 6.1919 indicates that Beddqe is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Beddqe. Following Lipinski's Rule of Five, Beddqe has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Beddqe is 120224-11-5.
The molecular formula of Beddqe is C31H50O7.
The molecular weight of Beddqe is 534.35565 g/mol.
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