15-Acetyl-4-deoxynivalenol
TL;DR: 15-Acetyl-4-deoxynivalenol (CAS 88337-96-6) 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.
(3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: 15-Acetylvomitoxin, 15-Acetyldeoxynivalenol, 15-Acetyl-4-deoxynivalenol, 15-Acetyl Deoxynivalenol, 15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | -0.7 |
| 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 |
Chemical Identifiers
| CAS Number | 88337-96-6 |
|---|---|
| SMILES | CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C |
| InChIKey | IDGRYIRJIFKTAN-UHFFFAOYSA-N |
Product Overview
15-Acetyl-4-deoxynivalenol (CAS 88337-96-6), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: (3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of 15-Acetyl-4-deoxynivalenol
Property Insights of 15-Acetyl-4-deoxynivalenol
The XLogP value of -0.7 indicates that 15-Acetyl-4-deoxynivalenol 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 15-Acetyl-4-deoxynivalenol. Following Lipinski's Rule of Five, 15-Acetyl-4-deoxynivalenol 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 15-Acetyl-4-deoxynivalenol?
The CAS number of 15-Acetyl-4-deoxynivalenol is 88337-96-6.
What is the molecular formula of 15-Acetyl-4-deoxynivalenol?
The molecular formula of 15-Acetyl-4-deoxynivalenol is C17H22O7.
What is the molecular weight of 15-Acetyl-4-deoxynivalenol?
The molecular weight of 15-Acetyl-4-deoxynivalenol is 338.14 g/mol.
Where can I buy 15-Acetyl-4-deoxynivalenol?
You can request a quote for 15-Acetyl-4-deoxynivalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Acetyl-4-deoxynivalenol?
Yes, KEHONG BIO provides custom synthesis services for 15-Acetyl-4-deoxynivalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.