Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- (CAS 89015-92-9) is a chemical compound with molecular formula C27H34O9 and molecular weight 502.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-6-[(E)-5-[(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methoxy]-3-methyl-5-oxopent-3-enoxy]-6-oxohexa-2,4-dienoic acid
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z(2E,4Z)))-
| Molecular Formula | C27H34O9 |
|---|---|
| Molecular Weight | 502.22 g/mol |
| LogP | 2.64 |
| Topological Polar Surface Area | 131.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.22028 |
| Heavy Atoms | 36 |
| Complexity | 1033.8445 |
Chemical Identifiers
| CAS Number | 89015-92-9 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)/C=C(\C)/CCOC(=O)/C=C/C=C/C(=O)O |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- (CAS 89015-92-9), with molecular formula C27H34O9 and molecular weight 502.22 g/mol. IUPAC: (2E,4E)-6-[(E)-5-[(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methoxy]-3-methyl-5-oxopent-3-enoxy]-6-oxohexa-2,4-dienoic acid.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-
The XLogP value of 2.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-. The TPSA of 131.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- has 2 hydrogen bond donor(s) and 8 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-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- is 89015-92-9.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- is C27H34O9.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- is 502.22 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- 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-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.