TL;DR: Cephalocerone (CAS 135383-79-8) is a chemical compound with molecular formula C16H10O5 and molecular weight 282.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7Z)-7-benzylidene-4-hydroxyfuro[2,3-g][1,3]benzodioxol-8-one
Also Known As: cephalocerone, 4,5-Methylenedioxy-6-hydroxyaurone, (7Z)-7-benzylidene-4-hydroxyfuro[2,3-g][1,3]benzodioxol-8-one, (7Z)-7-benzylidene-4-hydroxy-2H-furo[3,2-e][1,3]benzodioxol-8(7H)-one, (Z)-4-Hydroxy-7-(phenylmethylene)-furo[3,2-e]-1,3-benzodioxol-8(7H)-one
| Molecular Formula | C16H10O5 |
| Molecular Weight | 282.05283 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.05283 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | C1OC2=C(O1)C3=C(C=C2O)O/C(=C\C4=CC=CC=C4)/C3=O |
| InChIKey | KLYHONUCJQKOKE-SDQBBNPISA-N |
The XLogP value of 3.1 indicates that Cephalocerone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cephalocerone. Following Lipinski's Rule of Five, Cephalocerone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cephalocerone is 135383-79-8.
The molecular formula of Cephalocerone is C16H10O5.
The molecular weight of Cephalocerone is 282.05283 g/mol.
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