Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-
TL;DR: Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- (CAS 92397-71-2) is a chemical compound with molecular formula C21H26O9 and molecular weight 422.16 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-diacetyloxy-1,5-dimethyl-3-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-4-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-, 7-Oxo-12,13-epoxytrichothec-8-ene-3,8,15-triyl triacetate, (12xi)-7-Oxo-3alpha-12,13-epoxytrichothec-8-ene-3,8,15-triyl triacetate
| Molecular Formula | C21H26O9 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.15768 |
| Heavy Atoms | 30 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 92397-71-2 |
|---|---|
| SMILES | CC1=C(C(=O)[C@]2([C@@H](C1)O[C@@H]3[C@@H](C[C@]2(C34CO4)C)OC(=O)C)COC(=O)C)OC(=O)C |
| InChIKey | SPPYZUFYUICUCL-FSWPFWDFSA-N |
Product Overview
Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- (CAS 92397-71-2), with molecular formula C21H26O9 and molecular weight 422.16 g/mol. IUPAC: [(1R,2S,7R,9R,10R)-4,10-diacetyloxy-1,5-dimethyl-3-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-4-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-
Property Insights of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-. Following Lipinski's Rule of Five, Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- has 0 hydrogen bond donor(s) and 9 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, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-?
The CAS number of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- is 92397-71-2.
What is the molecular formula of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-?
The molecular formula of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- is C21H26O9.
What is the molecular weight of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-?
The molecular weight of Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- is 422.16 g/mol.
Where can I buy Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-?
You can request a quote for Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (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, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-8-en-7-one, 3,8,15-tris(acetyloxy)-12,13-epoxy-, (3alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.