TL;DR: Chloroambrosin (CAS 126028-17-9) is a chemical compound with molecular formula C15H17ClO3 and molecular weight 280.0866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,6S,6aR,9aR,9bR)-8-chloro-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
Also Known As: Chloroambrosin, BocTyrLeuNH2, (3aS,6S,6aR,9aR,9bR)-8-chloro-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione, (3aS,6S,6aR,9aR,9bR)-8-Chloro-6,9a-dimethyl-3-methylidene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione, (3aS,6S,6aR,9aR,9bR)-8-chloro-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno(8,7-b)furan-2,9-dione
| Molecular Formula | C15H17ClO3 |
| Molecular Weight | 280.0866 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.0866 Da |
| Heavy Atoms | 19 |
| Complexity | 521.0 |
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=C(C3=O)Cl)C)OC(=O)C2=C |
| InChIKey | IWODEDMZZHXMJY-UHEPVNHGSA-N |
The XLogP value of 3.4 indicates that Chloroambrosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Chloroambrosin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroambrosin 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 Chloroambrosin is 126028-17-9.
The molecular formula of Chloroambrosin is C15H17ClO3.
The molecular weight of Chloroambrosin is 280.0866 g/mol.
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