3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
TL;DR: 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate (CAS 6333-84-2) is a chemical compound with molecular formula C19H26O8 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: KST-1A6879, 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate, (3, A,4, A,12xi)-3,7-dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 6333-84-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C(C1)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | DXOMWDQITCLYBJ-AEOSVVKMSA-N |
Product Overview
3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate (CAS 6333-84-2), with molecular formula C19H26O8 and molecular weight 382.16 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
Property Insights of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
The XLogP value of -0.8 indicates that 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate. Following Lipinski's Rule of Five, 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate 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 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
The CAS number of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is 6333-84-2.
What is the molecular formula of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
The molecular formula of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is C19H26O8.
What is the molecular weight of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
The molecular weight of 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is 382.16 g/mol.
Where can I buy 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
You can request a quote for 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.