3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
TL;DR: 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate (CAS 101401-89-2) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Also Known As: 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate, (12xi)-3alpha,15-Dihydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 101401-89-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3(C[C@H]([C@H](C34CO4)O2)O)C)CO |
| InChIKey | RCFUVEKOPPKTBN-XHNUPVCRSA-N |
Product Overview
3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate (CAS 101401-89-2), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: [(1R,2R,4S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate.
Chemical Property Profile of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
Property Insights of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate. 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-8-yl 3-methylbutanoate. Following Lipinski's Rule of Five, 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate 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-8-yl 3-methylbutanoate?
The CAS number of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate is 101401-89-2.
What is the molecular formula of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate?
The molecular formula of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate is C20H30O6.
What is the molecular weight of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate?
The molecular weight of 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate is 366.20 g/mol.
Where can I buy 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate?
You can request a quote for 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate 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-8-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.