TL;DR: Bullatalicin (CAS 152323-84-7) is a chemical compound with molecular formula C37H66O8 and molecular weight 638.47577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-4-[(2S)-9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
Also Known As: Bullatalicin, Bullatanocin, NCI60_011638, (2R)-4-[(2S)-9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
| Molecular Formula | C37H66O8 |
| Molecular Weight | 638.47577 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 638.47577 Da |
| Heavy Atoms | 45 |
| Complexity | 833.0 |
| SMILES | CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCC[C@@H](CC3=C[C@H](OC3=O)C)O)O)O)O |
| InChIKey | HKMBLJVHVBJAIH-VCWFTESGSA-N |
The XLogP value of 8.2 indicates that Bullatalicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bullatalicin. Following Lipinski's Rule of Five, Bullatalicin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bullatalicin is 152323-84-7.
The molecular formula of Bullatalicin is C37H66O8.
The molecular weight of Bullatalicin is 638.47577 g/mol.
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