7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one
TL;DR: 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one (CAS 54996-63-3) is a chemical compound with molecular formula C19H24O8 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3S,7R,10R)-3-acetyloxy-10-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one, Trichothec-9-en-8-one, 7,15-bis(acetyloxy)-12,13-epoxy-3-hydroxy-, (3alpha,7alpha)-, 3-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-7,15-diyl diacetate, (12xi)-3-Hydroxy-8-oxo-3alpha,7alpha-12,13-epoxytrichothec-9-ene-7,15-diyl diacetate
| Molecular Formula | C19H24O8 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 0.3039 |
| Topological Polar Surface Area | 111.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.14713 |
| Heavy Atoms | 27 |
| Complexity | 752.8086 |
Chemical Identifiers
| CAS Number | 54996-63-3 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)OC(=O)C)([C@]3(C[C@H](C(C34CO4)O2)O)C)COC(=O)C |
Product Overview
7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one (CAS 54996-63-3), with molecular formula C19H24O8 and molecular weight 380.15 g/mol. IUPAC: [(1R,2S,3S,7R,10R)-3-acetyloxy-10-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one
Property Insights of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one
The XLogP value of 0.3039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one. The TPSA of 111.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one. Following Lipinski's Rule of Five, 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one has 1 hydrogen bond donor(s) and 8 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 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one?
The CAS number of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one is 54996-63-3.
What is the molecular formula of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one?
The molecular formula of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one is C19H24O8.
What is the molecular weight of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one?
The molecular weight of 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one is 380.15 g/mol.
Where can I buy 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one?
You can request a quote for 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one?
Yes, KEHONG BIO provides custom synthesis services for 7alpha,15-Bis(acetyloxy)-12,13-epoxy-3alpha-hydroxytrichothec-9-en-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.