Epoxytrichothecene
TL;DR: Epoxytrichothecene (CAS 5419-34-1) is a chemical compound with molecular formula C24H34O9 and molecular weight 466.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Also Known As: Epoxytrichothecene, KST-1A5662, (12xi)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate, Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate)
| Molecular Formula | C24H34O9 |
|---|---|
| Molecular Weight | 466.22 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.22028 |
| Heavy Atoms | 33 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 5419-34-1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1OC(=O)CC(C)C)([C@]3(C(C([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | BXFOFFBJRFZBQZ-FZUHTSTPSA-N |
Product Overview
Epoxytrichothecene (CAS 5419-34-1), with molecular formula C24H34O9 and molecular weight 466.22 g/mol. IUPAC: [(1S,2R,7R,9R)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate.
Chemical Property Profile of Epoxytrichothecene
Property Insights of Epoxytrichothecene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epoxytrichothecene. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Epoxytrichothecene. Following Lipinski's Rule of Five, Epoxytrichothecene 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 Epoxytrichothecene?
The CAS number of Epoxytrichothecene is 5419-34-1.
What is the molecular formula of Epoxytrichothecene?
The molecular formula of Epoxytrichothecene is C24H34O9.
What is the molecular weight of Epoxytrichothecene?
The molecular weight of Epoxytrichothecene is 466.22 g/mol.
Where can I buy Epoxytrichothecene?
You can request a quote for Epoxytrichothecene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epoxytrichothecene?
Yes, KEHONG BIO provides custom synthesis services for Epoxytrichothecene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.