TL;DR: 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone (CAS 131612-93-6) is a chemical compound with molecular formula C27H22O3 and molecular weight 394.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methoxy-4-phenylmethoxyphenyl)-4H-benzo[h]chromene
Also Known As: 4'-Bmbf, 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone, 4/'-Benzyloxy-3/'-methoxy-7,8-benzoflavone, 2-(3-methoxy-4-phenylmethoxyphenyl)-4H-benzo[h]chromene, 2-[4-(Benzyloxy)-3-methoxyphenyl]-4H-naphtho[1,2-b]pyran
| Molecular Formula | C27H22O3 |
| Molecular Weight | 394.1569 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1569 Da |
| Heavy Atoms | 30 |
| Complexity | 581.0 |
| SMILES | COC1=C(C=CC(=C1)C2=CCC3=C(O2)C4=CC=CC=C4C=C3)OCC5=CC=CC=C5 |
| InChIKey | PELBSVQYGICVSY-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone is 131612-93-6.
The molecular formula of 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone is C27H22O3.
The molecular weight of 4'-Benzyloxy-3'-methoxy-7,8-benzoflavone is 394.1569 g/mol.
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