![3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol structure](/static/products/813/81331-40-0.png)
3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
TL;DR: 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol (CAS 81331-40-0) is a chemical compound with molecular formula C25H38O8 and molecular weight 466.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-1,5-dimethyl-4,10-bis(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Also Known As: 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol, 2-(Hydroxymethyl)-1,5-dimethyl-4,10-bis(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
| Molecular Formula | C25H38O8 |
|---|---|
| Molecular Weight | 466.26 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.25668 |
| Heavy Atoms | 33 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 81331-40-0 |
|---|---|
| SMILES | CC1=CC2C(CC1OC3CCCCO3)(C4(C(C(C(C45CO5)O2)OC6CCCCO6)O)C)CO |
| InChIKey | FHJAPIVVVJSEDP-UHFFFAOYSA-N |
Product Overview
3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol (CAS 81331-40-0), with molecular formula C25H38O8 and molecular weight 466.26 g/mol. IUPAC: 2-(hydroxymethyl)-1,5-dimethyl-4,10-bis(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol.
Chemical Property Profile of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
Property Insights of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol. Following Lipinski's Rule of Five, 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol has 2 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 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
The CAS number of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol is 81331-40-0.
What is the molecular formula of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
The molecular formula of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol is C25H38O8.
What is the molecular weight of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
The molecular weight of 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol is 466.26 g/mol.
Where can I buy 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
You can request a quote for 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.