TL;DR: RefChem:268306 (CAS 153804-57-0) is a chemical compound with molecular formula C23H29NO3S and molecular weight 399.18683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
Also Known As: 8-((4-((5-Methoxydihydro-(2H)-benzo(b)pyran-3-yl)amino)butyl)oxy)thiochroman, 2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-5-methoxy-, N-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine, N-{4-[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]butyl}-5-methoxy-3,4-dihydro-2H-1-benzopyran-3-amine
| Molecular Formula | C23H29NO3S |
| Molecular Weight | 399.18683 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.18683 Da |
| Heavy Atoms | 28 |
| Complexity | 465.0 |
| SMILES | COC1=CC=CC2=C1CC(CO2)NCCCCOC3=CC=CC4=C3SCCC4 |
| InChIKey | PACAWKKVNLIRTM-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that RefChem:268306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268306. Following Lipinski's Rule of Five, RefChem:268306 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:268306 is 153804-57-0.
The molecular formula of RefChem:268306 is C23H29NO3S.
The molecular weight of RefChem:268306 is 399.18683 g/mol.
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