![3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate structure](/static/products/7762/77620-40-7.webp)
3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
TL;DR: 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate (CAS 77620-40-7) is a chemical compound with molecular formula C24H34O8 and molecular weight 450.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-acetyloxy-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: 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate, [11-Acetyloxy-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 | C24H34O8 |
|---|---|
| Molecular Weight | 450.23 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.22537 |
| Heavy Atoms | 32 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 77620-40-7 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)OC5CCCCO5)OC(=O)C)C)COC(=O)C |
| InChIKey | MDRKSKKGMJPGLW-UHFFFAOYSA-N |
Product Overview
3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate (CAS 77620-40-7), with molecular formula C24H34O8 and molecular weight 450.23 g/mol. IUPAC: [11-acetyloxy-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 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
Property Insights of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate. Following Lipinski's Rule of Five, 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate has 0 hydrogen bond donor(s) and 8 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-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
The CAS number of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is 77620-40-7.
What is the molecular formula of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
The molecular formula of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is C24H34O8.
What is the molecular weight of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
The molecular weight of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is 450.23 g/mol.
Where can I buy 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
You can request a quote for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.