7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate
TL;DR: 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate (CAS 50722-38-8) is a chemical compound with molecular formula C17H22O7 and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: 3-Acetyldeoxynivalenol, Acetyldeoxynivalenol, 3-Acetyl don, Deoxynivalenol monoacetate, Dehydronivalenol monoacetate
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.13657 |
| Heavy Atoms | 24 |
| Complexity | 657.0 |
| Melting Point | 185.5 - 186 °C |
Chemical Identifiers
| CAS Number | 50722-38-8 |
|---|---|
| SMILES | CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO |
| InChIKey | ADFIQZBYNGPCGY-UHFFFAOYSA-N |
Product Overview
7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate (CAS 50722-38-8), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: [3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.
Chemical Property Profile of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate
Property Insights of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate
The XLogP value of -0.1 indicates that 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate. Following Lipinski's Rule of Five, 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate has 2 hydrogen bond donor(s) and 7 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 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
The CAS number of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is 50722-38-8.
What is the molecular formula of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
The molecular formula of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is C17H22O7.
What is the molecular weight of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
The molecular weight of 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is 338.14 g/mol.
Where can I buy 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
You can request a quote for 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.