Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-
TL;DR: Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- (CAS 63783-99-3) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4R,7R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,11-diol
Also Known As: Propanoic acid, sodium salt (2:1), 12,13-Epoxytrichothec-9-ene-4,8,15-triol, Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-, (12xi)-12,13-Epoxytrichothec-9-ene-4beta,8beta,15-triol
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | -0.0167 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 484.65555 |
Chemical Identifiers
| CAS Number | 63783-99-3 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@H]1O)([C@]3([C@@H](CC(C34CO4)O2)O)C)CO |
Product Overview
Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- (CAS 63783-99-3), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: (1S,2R,4R,7R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,11-diol.
Chemical Property Profile of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-
Property Insights of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-
The XLogP value of -0.0167 indicates that Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- has 3 hydrogen bond donor(s) and 5 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 Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-?
The CAS number of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- is 63783-99-3.
What is the molecular formula of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-?
The molecular formula of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- is C15H22O5.
What is the molecular weight of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-?
The molecular weight of Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- is 282.15 g/mol.
Where can I buy Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-?
You can request a quote for Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.