Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-
TL;DR: Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- (CAS 103776-41-6) is a chemical compound with molecular formula C15H20O6 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,7R,9R,10R)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-4-ene-12,2'-oxirane]-3-one
Also Known As: Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-, 3,8,15-trihydroxy-12,13-epoxytrichothec-8-en-7-one, (12xi)-3alpha,8,15-Trihydroxy-12,13-epoxytrichothec-8-en-7-one
| Molecular Formula | C15H20O6 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.12598 |
| Heavy Atoms | 21 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 103776-41-6 |
|---|---|
| SMILES | CC1=C(C(=O)[C@]2([C@@H](C1)O[C@@H]3[C@@H](C[C@]2(C34CO4)C)O)CO)O |
| InChIKey | LUPIUPBXUZANOK-HQIDQWOOSA-N |
Product Overview
Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- (CAS 103776-41-6), with molecular formula C15H20O6 and molecular weight 296.13 g/mol. IUPAC: (1R,2S,7R,9R,10R)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-4-ene-12,2'-oxirane]-3-one.
Chemical Property Profile of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-
Property Insights of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-
The XLogP value of -0.5 indicates that Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-. Following Lipinski's Rule of Five, Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-?
The CAS number of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- is 103776-41-6.
What is the molecular formula of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-?
The molecular formula of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- is C15H20O6.
What is the molecular weight of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-?
The molecular weight of Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- is 296.13 g/mol.
Where can I buy Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-?
You can request a quote for Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-8-en-7-one, 12,13-epoxy-3,8,15-trihydroxy-, (3alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.