(12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate
TL;DR: (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate (CAS 81370-61-8) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,10R,11S,12R)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-but-2-enoate
Also Known As: (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate, Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 15-(2-butenoate), (3.alpha.,4.beta.)-, [(1S,2R,7R,9R,10R,11S,12R)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-but-2-enoate
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 1.1103 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 650.29974 |
Chemical Identifiers
| CAS Number | 81370-61-8 |
|---|---|
| SMILES | C/C=C/C(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@@H]([C@H]([C@]2([C@@]34CO4)C)O)O)C |
Product Overview
(12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate (CAS 81370-61-8), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S,12R)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-but-2-enoate.
Chemical Property Profile of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate
Property Insights of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate
The XLogP value of 1.1103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate. Following Lipinski's Rule of Five, (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate 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 (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate?
The CAS number of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate is 81370-61-8.
What is the molecular formula of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate?
The molecular formula of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate is C19H26O6.
What is the molecular weight of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate?
The molecular weight of (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate is 350.17 g/mol.
Where can I buy (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate?
You can request a quote for (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (12R)-3beta,4alpha-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl (2E)-but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.