TL;DR: Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)- (CAS 124071-00-7) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a,8,8-trimethyl-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-2-one
Also Known As: Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)-, 4-(Furan-3-yl)-4a,8,8-trimethylhexahydrooxireno[d][2]benzopyran-2(1aH)-one, (1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a,8,8-trimethyl-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-2-one, (1aS,4S,4aS,8aS)-4-(Furan-3-yl)-4a,8,8-trimethylhexahydrooxireno[d][2]benzopyran-2(1aH)-one, Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)-
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.13617 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.13617 Da |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
| SMILES | C[C@@]12CCCC([C@@]13[C@H](O3)C(=O)O[C@H]2C4=COC=C4)(C)C |
| InChIKey | OLVOOMOMIMDXRU-VZAMPYOESA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)-. With a topological polar surface area (TPSA) of 52.0 Ų, Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)- is 124071-00-7.
The molecular formula of Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)- is C16H20O4.
The molecular weight of Oxireno(d)(2)benzopyran-2(1aH)-one, 4-(3-furanyl)hexahydro-4a,8,8-trimethyl-, (1aalpha,4alpha,4aalpha,8aR*)- is 276.13617 g/mol.
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