15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate
TL;DR: 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate (CAS 91632-02-9) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,7R,9R,10R)-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: 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate, (12xi)-15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3alpha-yl acetate, Trichothec-9-en-8-one, 3-(acetyloxy)-12,13-epoxy-15-hydroxy-, (3alpha)-
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 91632-02-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1=O)([C@]3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)CO |
| InChIKey | SZLJBLLFBMSKCE-VUIOFSRNSA-N |
Product Overview
15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate (CAS 91632-02-9), with molecular formula C17H22O6 and molecular weight 322.14 g/mol. IUPAC: [(1R,2R,7R,9R,10R)-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 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate
Property Insights of 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate
The XLogP value of -0.1 indicates that 15-Hydroxy-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 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate. Following Lipinski's Rule of Five, 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate has 1 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 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
The CAS number of 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is 91632-02-9.
What is the molecular formula of 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
The molecular formula of 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is C17H22O6.
What is the molecular weight of 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
The molecular weight of 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate is 322.14 g/mol.
Where can I buy 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
You can request a quote for 15-Hydroxy-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 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.