Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- (CAS 89015-96-3) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl (2Z)-3-methylpenta-2,4-dienoate
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 2.6957 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 703.19 |
Chemical Identifiers
| CAS Number | 89015-96-3 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)/C=C(/C)\C=C |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- (CAS 89015-96-3), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl (2Z)-3-methylpenta-2,4-dienoate.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-
The XLogP value of 2.6957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- has 1 hydrogen bond donor(s) and 5 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-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- is 89015-96-3.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- is C21H28O5.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- is 360.19 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (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-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.