TL;DR: RefChem:318338 (CAS 146059-56-5) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]quinoline
Also Known As: NCI60_025292, 1-O,2-O:3-O,4-O-Diisopropylidene-6-(2-methyl-4-quinolyl)-6-deoxy-alpha-D-galactopyranose, 2-methyl-4-{[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl}quinoline, 2-Methyl-4-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methyl}quinoline, alpha-D-Galactopyranose, 6-deoxy-1,2:3,4-bis-O-(1-methylethylidene)-6-(2-methyl-4-quinolinyl)-
| Molecular Formula | C22H27NO5 |
| Molecular Weight | 385.18893 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.18893 Da |
| Heavy Atoms | 28 |
| Complexity | 595.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=C1)C[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H](O3)OC(O5)(C)C)OC(O4)(C)C |
| InChIKey | HDWJGUZZEXALAJ-LCWAXJCOSA-N |
The XLogP value of 3.3 indicates that RefChem:318338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, RefChem:318338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318338 has 0 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 RefChem:318338 is 146059-56-5.
The molecular formula of RefChem:318338 is C22H27NO5.
The molecular weight of RefChem:318338 is 385.18893 g/mol.
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