7-Deoxynivalenol
TL;DR: 7-Deoxynivalenol (CAS 1930-12-7) is a chemical compound with molecular formula C15H20O6 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Also Known As: 7-Deoxynivalenol, 3,4,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one, 2,3,4-Tribromo-9-methoxy-7H-furo(3,2-g)chromen-7-one, 12,13-Epoxy-3alpha,4beta,15-trihydroxytrichotec-9-en-8-one, 12,13-Epoxy-3alpha,4beta,15-trihydroxytrichothec-9-en-8-one
| Molecular Formula | C15H20O6 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | -0.8377 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.12598 |
| Heavy Atoms | 21 |
| Complexity | 552.3671 |
Chemical Identifiers
| CAS Number | 1930-12-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1=O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO |
Product Overview
7-Deoxynivalenol (CAS 1930-12-7), with molecular formula C15H20O6 and molecular weight 296.13 g/mol. IUPAC: (1S,2R,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one.
Chemical Property Profile of 7-Deoxynivalenol
Property Insights of 7-Deoxynivalenol
The XLogP value of -0.8377 indicates that 7-Deoxynivalenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Deoxynivalenol. Following Lipinski's Rule of Five, 7-Deoxynivalenol has 3 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 7-Deoxynivalenol?
The CAS number of 7-Deoxynivalenol is 1930-12-7.
What is the molecular formula of 7-Deoxynivalenol?
The molecular formula of 7-Deoxynivalenol is C15H20O6.
What is the molecular weight of 7-Deoxynivalenol?
The molecular weight of 7-Deoxynivalenol is 296.13 g/mol.
Where can I buy 7-Deoxynivalenol?
You can request a quote for 7-Deoxynivalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxynivalenol?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxynivalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.