Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- (CAS 88980-77-2) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.19 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-oxopentanoate
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-, 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl 4-oxopentanoate, (4R,12xi)-4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl 4-oxopentanoate
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 88980-77-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)CCC(=O)C |
| InChIKey | NLYFULWRJFXADP-NPCROLCTSA-N |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- (CAS 88980-77-2), with molecular formula C20H28O6 and molecular weight 364.19 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-oxopentanoate.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- 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 Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- is 88980-77-2.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- is C20H28O6.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- is 364.19 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(4-oxopentanoate), (4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.