![[(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate structure](/static/products/8824/88245-09-4.webp)
[(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
TL;DR: [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate (CAS 88245-09-4) is a chemical compound with molecular formula C25H42O6Si and molecular weight 466.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
Also Known As: 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl 4-{[tert-butyl(dimethyl)silyl]oxy}butanoate, (12xi)-4beta-Hydroxy-12,13-epoxytrichothec-9-en-15-yl 4-{[tert-butyldi(methyl)silyl]oxy}butanoate, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-(((1,1-dimethylethyl)dimethylsilyl)oxy)butanoate), (4beta)-
| Molecular Formula | C25H42O6Si |
|---|---|
| Molecular Weight | 466.28 g/mol |
| LogP | 4.3654 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.27505 |
| Heavy Atoms | 32 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 88245-09-4 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)CCCO[Si](C)(C)C(C)(C)C |
| InChIKey | BPMHBIHQRCHMOP-ZIXSQPIASA-N |
Product Overview
[(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate (CAS 88245-09-4), with molecular formula C25H42O6Si and molecular weight 466.28 g/mol. IUPAC: [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate.
Chemical Property Profile of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
Property Insights of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
The XLogP value of 4.3654 indicates that [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate. Following Lipinski's Rule of Five, [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate has 1 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 [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The CAS number of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate is 88245-09-4.
What is the molecular formula of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The molecular formula of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate is C25H42O6Si.
What is the molecular weight of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The molecular weight of [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate is 466.28 g/mol.
Where can I buy [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
You can request a quote for [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for [(1S,2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.