Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-
TL;DR: Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- (CAS 100596-40-5) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,7R,9S,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-one
Also Known As: 3,7,15-Trihydroxytrichothec-9-en-8-one, 3alpha,7,15-Trihydroxytrichothec-9-en-8-one, Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-
Technical Specifications
| Molecular Formula | C15H22O5 |
| Molecular Weight | 282.14673 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 Da |
| Heavy Atoms | 20 |
| Complexity | 487.0 |
| SMILES | C[C@@H]1[C@H]2[C@@H](C[C@@]1([C@@]3([C@H](O2)C=C(C(=O)C3O)C)CO)C)O |
| InChIKey | WOAAVQMLHJSDCT-GFMIXFBSSA-N |
Chemical Property Profile of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-
Property Insights of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-. Following Lipinski's Rule of Five, Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-?
The CAS number of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- is 100596-40-5.
What is the molecular formula of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-?
The molecular formula of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- is C15H22O5.
What is the molecular weight of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-?
The molecular weight of Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- is 282.14673 g/mol.
Where can I buy Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-?
You can request a quote for Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)-?
Yes, CoreyChem provides custom synthesis services for Trichothec-9-en-8-one, 3,7,15-trihydroxy-, (3alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.