15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
TL;DR: 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate (CAS 81331-42-2) is a chemical compound with molecular formula C21H28O8 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
Also Known As: 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate, [2-(Acetyloxymethyl)-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
| Molecular Formula | C21H28O8 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.1784 |
| Heavy Atoms | 29 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 81331-42-2 |
|---|---|
| SMILES | CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C(=C)C)C)COC(=O)C |
| InChIKey | WSHDHEUVOIAJPW-UHFFFAOYSA-N |
Product Overview
15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate (CAS 81331-42-2), with molecular formula C21H28O8 and molecular weight 408.18 g/mol. IUPAC: [2-(acetyloxymethyl)-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate.
Chemical Property Profile of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
Property Insights of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate. Following Lipinski's Rule of Five, 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate 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 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
The CAS number of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate is 81331-42-2.
What is the molecular formula of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
The molecular formula of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate is C21H28O8.
What is the molecular weight of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
The molecular weight of 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate is 408.18 g/mol.
Where can I buy 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
You can request a quote for 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 15-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.