Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.
TL;DR: Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. (CAS 79320-85-7) is a chemical compound with molecular formula C23H28O7 and molecular weight 416.18 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)-10-oxospiro[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-en-3-one deriv., 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate), Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-en-3-one deriv., Trichothec-9-en-3-one,13-epoxy-4,15-bis[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-, [1,5-Dimethyl-11-(2-methylprop-2-enoyloxy)-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
| Molecular Formula | C23H28O7 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1835 |
| Heavy Atoms | 30 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 79320-85-7 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(=O)C(C34CO4)O2)OC(=O)C(=C)C)C)COC(=O)C(=C)C |
| InChIKey | SZEKGWWGLUIOFE-UHFFFAOYSA-N |
Product Overview
Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. (CAS 79320-85-7), with molecular formula C23H28O7 and molecular weight 416.18 g/mol. IUPAC: [1,5-dimethyl-11-(2-methylprop-2-enoyloxy)-10-oxospiro[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-en-3-one deriv.
Property Insights of Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.. Following Lipinski's Rule of Five, Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. has 0 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 Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.?
The CAS number of Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. is 79320-85-7.
What is the molecular formula of Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.?
The molecular formula of Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. is C23H28O7.
What is the molecular weight of Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.?
The molecular weight of Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. is 416.18 g/mol.
Where can I buy Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv.?
You can request a quote for Spiro(2,2'-oxirane), trichothec-9-en-3-one 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-en-3-one deriv.?
Yes, KEHONG BIO provides custom synthesis services for Spiro(2,2'-oxirane), trichothec-9-en-3-one deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.