![4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate structure](/static/products/7762/77620-42-9.webp)
4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate
TL;DR: 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate (CAS 77620-42-9) is a chemical compound with molecular formula C22H32O7 and molecular weight 408.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-hydroxy-1,5-dimethyl-10-(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate, [11-Hydroxy-1,5-dimethyl-10-(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
| Molecular Formula | C22H32O7 |
|---|---|
| Molecular Weight | 408.21 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.2148 |
| Heavy Atoms | 29 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 77620-42-9 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)OC5CCCCO5)O)C)COC(=O)C |
| InChIKey | CCWOWONLRKWGAD-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate (CAS 77620-42-9), with molecular formula C22H32O7 and molecular weight 408.21 g/mol. IUPAC: [11-hydroxy-1,5-dimethyl-10-(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate
Property Insights of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate. Following Lipinski's Rule of Five, 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate has 1 hydrogen bond donor(s) and 7 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 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate?
The CAS number of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate is 77620-42-9.
What is the molecular formula of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate?
The molecular formula of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate is C22H32O7.
What is the molecular weight of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate?
The molecular weight of 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate is 408.21 g/mol.
Where can I buy 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate?
You can request a quote for 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.