TL;DR: 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- (CAS 131168-60-0) is a chemical compound with molecular formula C16H13ClO2 and molecular weight 272.0604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-6-chloro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
Also Known As: 6-Chloro-4'-methylflavanone, (2S)-6-chloro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)-, (2S)-6-Chloro-2-(4-methylphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
| Molecular Formula | C16H13ClO2 |
| Molecular Weight | 272.0604 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0604 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | CC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=CC(=C3)Cl |
| InChIKey | VYQDDKOZOLKJGP-INIZCTEOSA-N |
The XLogP value of 4.0 indicates that 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- is 131168-60-0.
The molecular formula of 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- is C16H13ClO2.
The molecular weight of 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-, (S)- is 272.0604 g/mol.
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