TL;DR: 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)- (CAS 137786-86-8) is a chemical compound with molecular formula C21H21NO5S and molecular weight 399.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[4-[(6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Also Known As: 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-, 5-[[4-[(6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, 5-[[4-[(6-hydroxy-2-methyl-chroman-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, 2,4-Thiazolidinedione,5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl), 4-Hydroxy-5-({4-[(6-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-1,3-thiazol-2(5H)-one
| Molecular Formula | C21H21NO5S |
| Molecular Weight | 399.11404 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.11404 Da |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
| SMILES | CC1(CCC2=C(O1)C=CC(=C2)O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4 |
| InChIKey | AMSJXOCWSLHWJC-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-. Following Lipinski's Rule of Five, 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)- is 137786-86-8.
The molecular formula of 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)- is C21H21NO5S.
The molecular weight of 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)- is 399.11404 g/mol.
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