TL;DR: (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol (CAS 114506-97-7) is a chemical compound with molecular formula C23H30O10 and molecular weight 466.1839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-3,4-dihydro-2H-chromen-3-ol
Also Known As: KST-1A0673, (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol, (2r,3s)-2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-3,4-dihydro-2h-chromen-3-ol, 2H-1-Benzopyran-3-ol, 2-(3,4-bis(2-hydroxyethoxy)phenyl)-3,4-dihydro-5,7-bis(2-hydroxyethoxy)-, (2R-trans)-, 2H-1-Benzopyran-3-ol,2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,4-dihydro-5,7-bis(2-hydroxyethoxy)-,(2R-trans)- (9CI)
| Molecular Formula | C23H30O10 |
| Molecular Weight | 466.1839 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 466.1839 Da |
| Heavy Atoms | 33 |
| Complexity | 537.0 |
| SMILES | C1[C@@H]([C@H](OC2=C1C(=CC(=C2)OCCO)OCCO)C3=CC(=C(C=C3)OCCO)OCCO)O |
| InChIKey | NIGKYHOTBHEQRJ-FDDCHVKYSA-N |
The XLogP value of -1.1 indicates that (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol is 114506-97-7.
The molecular formula of (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol is C23H30O10.
The molecular weight of (2R,3S)-2-(3,4-bis(2-hydroxyethoxy)phenyl)-5,7-bis(2-hydroxyethoxy)chroman-3-ol is 466.1839 g/mol.
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