Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate
TL;DR: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate (CAS 2198-94-9) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R)-11-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 4,15-Diacetylverrucarol, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 2.1541 |
| Topological Polar Surface Area | 74.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 650.29974 |
Chemical Identifiers
| CAS Number | 2198-94-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(C(CC(C34CO4)O2)OC(=O)C)C)COC(=O)C |
Product Overview
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate (CAS 2198-94-9), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: [(1S,2R,7R)-11-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate
Property Insights of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate
The XLogP value of 2.1541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate. The TPSA of 74.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate has 0 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 Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate?
The CAS number of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate is 2198-94-9.
What is the molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate?
The molecular formula of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate is C19H26O6.
What is the molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate?
The molecular weight of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate is 350.17 g/mol.
Where can I buy Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate?
You can request a quote for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate 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-4,15-diol, 12,13-epoxy-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.