TL;DR: 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one (CAS 117376-57-5) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,11-trimethyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
Also Known As: 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one, 3,4,11-trimethyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one, 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-2-one, 2,6,7-trimethyl-4,17-dioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),6,9,11(16)-pentaen-5-one, REGID_for_CID_707674
| Molecular Formula | C18H18O3 |
| Molecular Weight | 282.12558 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.12558 Da |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C4=C(O3)CCCC4)C)C |
| InChIKey | YVOWKUKCANOWJK-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one is 117376-57-5.
The molecular formula of 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one is C18H18O3.
The molecular weight of 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one is 282.12558 g/mol.
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