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 77620-59-8) is a chemical compound with molecular formula C23H26O8 and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,5-dimethyl-11-(2-methylprop-2-enoyloxy)-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Also Known As: Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv., 3,8-Dioxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate), Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,8-dione deriv., Trichothec-9-ene-3, 12,13-epoxy-4,15-bis[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-, [1,5-Dimethyl-11-(2-methylprop-2-enoyloxy)-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
| Molecular Formula | C23H26O8 |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.16278 |
| Heavy Atoms | 31 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 77620-59-8 |
|---|---|
| SMILES | CC1=CC2C(CC1=O)(C3(C(C(=O)C(C34CO4)O2)OC(=O)C(=C)C)C)COC(=O)C(=C)C |
| InChIKey | QUNBFIXEWKNFLB-UHFFFAOYSA-N |
Product Overview
Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv. (CAS 77620-59-8), with molecular formula C23H26O8 and molecular weight 430.16 g/mol. IUPAC: [1,5-dimethyl-11-(2-methylprop-2-enoyloxy)-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 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 1.8 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 77620-59-8.
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 C23H26O8.
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 430.16 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.