7-Acetyldeoxynivalenol
TL;DR: 7-Acetyldeoxynivalenol (CAS 6335-95-1) 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.
[(1R,2S,3S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate
Also Known As: 7-Acetyldeoxynivalenol, 7-acetyl-4-deoxynivalenol, KST-1A6889, (3, A,7
| 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 | 6335-95-1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)OC(=O)C)([C@]3(C[C@H]([C@H](C34CO4)O2)O)C)CO |
| InChIKey | BIEMSLKEYQTVRH-KLOHDQKESA-N |
Product Overview
7-Acetyldeoxynivalenol (CAS 6335-95-1), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: [(1R,2S,3S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate.
Chemical Property Profile of 7-Acetyldeoxynivalenol
Property Insights of 7-Acetyldeoxynivalenol
The XLogP value of -0.7 indicates that 7-Acetyldeoxynivalenol 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-Acetyldeoxynivalenol. Following Lipinski's Rule of Five, 7-Acetyldeoxynivalenol 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-Acetyldeoxynivalenol?
The CAS number of 7-Acetyldeoxynivalenol is 6335-95-1.
What is the molecular formula of 7-Acetyldeoxynivalenol?
The molecular formula of 7-Acetyldeoxynivalenol is C17H22O7.
What is the molecular weight of 7-Acetyldeoxynivalenol?
The molecular weight of 7-Acetyldeoxynivalenol is 338.14 g/mol.
Where can I buy 7-Acetyldeoxynivalenol?
You can request a quote for 7-Acetyldeoxynivalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetyldeoxynivalenol?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetyldeoxynivalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.