Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.
TL;DR: Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. (CAS 77620-58-7) is a chemical compound with molecular formula C21H24O8 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
Also Known As: Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv., 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate, Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,8-dione deriv., [2-(Acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate, Trichothec-9-ene-3, 15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 77620-58-7 |
|---|---|
| SMILES | CC1=CC2C(CC1=O)(C3(C(C(=O)C(C34CO4)O2)OC(=O)C(=C)C)C)COC(=O)C |
| InChIKey | BSXMZJFQPNFQQS-UHFFFAOYSA-N |
Product Overview
Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. (CAS 77620-58-7), with molecular formula C21H24O8 and molecular weight 404.15 g/mol. IUPAC: [2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate.
Chemical Property Profile of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.
Property Insights of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.. Following Lipinski's Rule of Five, Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. 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 Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.?
The CAS number of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. is 77620-58-7.
What is the molecular formula of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.?
The molecular formula of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. is C21H24O8.
What is the molecular weight of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.?
The molecular weight of Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. is 404.15 g/mol.
Where can I buy Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.?
You can request a quote for Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.?
Yes, KEHONG BIO provides custom synthesis services for Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.