Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- (CAS 84303-85-5) is a chemical compound with molecular formula C25H37O10P and molecular weight 528.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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 (Z)-5-(2-dimethoxyphosphorylacetyl)oxy-3-methylpent-2-enoate
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-
| Molecular Formula | C25H37O10P |
|---|---|
| Molecular Weight | 528.21 g/mol |
| LogP | 2.9289 |
| Topological Polar Surface Area | 130.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.21246 |
| Heavy Atoms | 36 |
| Complexity | 992.79895 |
Chemical Identifiers
| CAS Number | 84303-85-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)/C=C(/C)\CCOC(=O)CP(=O)(OC)OC |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- (CAS 84303-85-5), with molecular formula C25H37O10P and molecular weight 528.21 g/mol. IUPAC: [(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 (Z)-5-(2-dimethoxyphosphorylacetyl)oxy-3-methylpent-2-enoate.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-
The XLogP value of 2.9289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-. The TPSA of 130.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- is 84303-85-5.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- is C25H37O10P.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- is 528.21 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- 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-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.