3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one
TL;DR: 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (CAS 911392-36-4) 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.
3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Also Known As: Vomitoxin, DEOXYNIVALENOL, Rd toxin, Desoxynivalenol, 4-Deoxynivalenol
| Molecular Formula | C15H20O6 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.12598 |
| Heavy Atoms | 21 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 911392-36-4 |
|---|---|
| SMILES | CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO |
| InChIKey | LINOMUASTDIRTM-UHFFFAOYSA-N |
Product Overview
3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one (CAS 911392-36-4), with molecular formula C15H20O6 and molecular weight 296.13 g/mol. IUPAC: 3,10-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 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one
Property Insights of 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one
The XLogP value of -0.7 indicates that 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one. Following Lipinski's Rule of Five, 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one 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 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one?
The CAS number of 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one is 911392-36-4.
What is the molecular formula of 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one?
The molecular formula of 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one is C15H20O6.
What is the molecular weight of 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one?
The molecular weight of 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one is 296.13 g/mol.
Where can I buy 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one?
You can request a quote for 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.