7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
TL;DR: 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate (CAS 99571-97-8) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3R,7R,9R,10R)-3-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate, (12xi)-7alpha-Hydroxy-12,13-epoxytrichothec-9-en-3alpha-yl acetate
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.16238 |
| Heavy Atoms | 22 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 99571-97-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1)O)([C@]3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)C |
| InChIKey | DXJVHMPBOIJQMO-YXLAKCTBSA-N |
Product Overview
7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate (CAS 99571-97-8), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: [(1R,2S,3R,7R,9R,10R)-3-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.
Chemical Property Profile of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
Property Insights of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate. Following Lipinski's Rule of Five, 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate has 1 hydrogen bond donor(s) and 5 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 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate?
The CAS number of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate is 99571-97-8.
What is the molecular formula of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate?
The molecular formula of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate is C17H24O5.
What is the molecular weight of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate?
The molecular weight of 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate is 308.16 g/mol.
Where can I buy 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate?
You can request a quote for 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.