![3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol structure](/static/products/7762/77620-41-8.webp)
3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
TL;DR: 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol (CAS 77620-41-8) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-1,5-dimethyl-10-(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Also Known As: 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol, 2-(Hydroxymethyl)-1,5-dimethyl-10-(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 77620-41-8 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)OC5CCCCO5)O)C)CO |
| InChIKey | ALCDANJSCTYEQL-UHFFFAOYSA-N |
Product Overview
3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol (CAS 77620-41-8), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: 2-(hydroxymethyl)-1,5-dimethyl-10-(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol.
Chemical Property Profile of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
Property Insights of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol. Following Lipinski's Rule of Five, 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol has 2 hydrogen bond donor(s) and 6 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-diol?
The CAS number of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol is 77620-41-8.
What is the molecular formula of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
The molecular formula of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol is C20H30O6.
What is the molecular weight of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
The molecular weight of 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol is 366.20 g/mol.
Where can I buy 3-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
You can request a quote for 3-[(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-[(Oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(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.