TL;DR: Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- (CAS 111238-12-1) is a chemical compound with molecular formula C21H16O3 and molecular weight 318.1225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dideuterio-7'-methoxyspiro[1H-indene-3,3'-benzo[g][2]benzofuran]-1'-one
Also Known As: Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy-, 2,2-dideuterio-7'-methoxyspiro[1H-indene-3,3'-benzo[g][2]benzofuran]-1'-one, 7'-Methoxy(2,2-~2~H_2_)-2,3-dihydro-1'H-spiro[indene-1,3'-naphtho[1,2-c]furan]-1'-one
| Molecular Formula | C21H16O3 |
| Molecular Weight | 318.1225 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.1225 Da |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
| SMILES | [2H]C1(CC2=CC=CC=C2C13C4=C(C5=C(C=C4)C=C(C=C5)OC)C(=O)O3)[2H] |
| InChIKey | MDYQHKQDLFDYCY-ZWGOZCLVSA-N |
The XLogP value of 4.5 indicates that Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- 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 Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- is 111238-12-1.
The molecular formula of Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- is C21H16O3.
The molecular weight of Spiro(1H-indene-1,3'(1'H)-naphtho(1,2-c)furan)-1'-one-2-d, 2,3-dihydro-2-d-7'-methoxy- is 318.1225 g/mol.
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