Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- (CAS 84412-92-0) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 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-hydroxy-3-methylpent-2-enoate
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-((2E)-5-hydroxy-3-methyl-2-pentenoate), (4beta)-
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 1.8921 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 692.7854 |
Chemical Identifiers
| CAS Number | 84412-92-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)/C=C(/C)\CCO |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- (CAS 84412-92-0), with molecular formula C21H30O6 and molecular weight 378.20 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-hydroxy-3-methylpent-2-enoate.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-
The XLogP value of 1.8921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- has 2 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-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- is 84412-92-0.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- is C21H30O6.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- is 378.20 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,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-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.