TL;DR: Triticone B (CAS 114613-32-0) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6Z,10S)-10-hydroxy-2-methoxy-3-methylidene-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,4,9-trione
Also Known As: Triticone B, Triticone A, (-)-Triticone B, Spirostaphylotrichin C, J3.288.370B
| Molecular Formula | C14H15NO5 |
| Molecular Weight | 277.09503 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.09503 Da |
| Heavy Atoms | 20 |
| Complexity | 574.0 |
| SMILES | CC/C=C\1/C=CC(=O)[C@H]([C@@]12C(=O)C(=C)N(C2=O)OC)O |
| InChIKey | UVGXMQSQHURGBS-CMKQMZPSSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triticone B. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triticone B. Following Lipinski's Rule of Five, Triticone B 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 Triticone B is 114613-32-0.
The molecular formula of Triticone B is C14H15NO5.
The molecular weight of Triticone B is 277.09503 g/mol.
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