3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate
TL;DR: 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate (CAS 65041-92-1) is a chemical compound with molecular formula C21H28O9 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9R,10R,11S)-4,11-diacetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Neosolaniol, 8-Acetylneosolaniol, Neosolaniol monoacetate, 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate, 3-Hydroxy-4beta,8-alpha,15-triacetoxy-12,13-epoxytrichothec-9-ene
| Molecular Formula | C21H28O9 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 0.6665 |
| Topological Polar Surface Area | 120.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.17334 |
| Heavy Atoms | 30 |
| Complexity | 815.2947 |
Chemical Identifiers
| CAS Number | 65041-92-1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
Product Overview
3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate (CAS 65041-92-1), with molecular formula C21H28O9 and molecular weight 424.17 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S)-4,11-diacetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate
Property Insights of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate
The XLogP value of 0.6665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate. The TPSA of 120.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate. Following Lipinski's Rule of Five, 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate has 1 hydrogen bond donor(s) and 9 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-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate?
The CAS number of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate is 65041-92-1.
What is the molecular formula of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate?
The molecular formula of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate is C21H28O9.
What is the molecular weight of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate?
The molecular weight of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate is 424.17 g/mol.
Where can I buy 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate?
You can request a quote for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.