3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
TL;DR: 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate (CAS 77620-62-3) 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.
[10-hydroxy-2-(hydroxymethyl)-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: 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate, [10-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 77620-62-3 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C(=C)C)C)CO |
| InChIKey | MQZSNQVROSOYJP-UHFFFAOYSA-N |
Product Overview
3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate (CAS 77620-62-3), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: [10-hydroxy-2-(hydroxymethyl)-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 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
Property Insights of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate. Following Lipinski's Rule of Five, 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-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 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
The CAS number of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate is 77620-62-3.
What is the molecular formula of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
The molecular formula of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate is C19H26O6.
What is the molecular weight of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
The molecular weight of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate is 350.17 g/mol.
Where can I buy 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
You can request a quote for 3,15-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 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3,15-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.