Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-
TL;DR: Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- (CAS 2199-06-6) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,7R,9R,11R)-11-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Also Known As: Trichothecolone, 4-Hydroxy-12,13-epoxytrichothec-9-en-8-one, (4beta)-12,13-Epoxy-4-hydroxytrichothec-9-en-8-one, (12xi)-4beta-Hydroxy-12,13-epoxytrichothec-9-en-8-one, (2R,7R,9R,11R)-11-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 2199-06-6 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1=O)(C3([C@@H](C[C@H](C34CO4)O2)O)C)C |
| InChIKey | BURHPZJXARNGQY-YNBGEIFUSA-N |
Product Overview
Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- (CAS 2199-06-6), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (2R,7R,9R,11R)-11-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one.
Chemical Property Profile of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-
Property Insights of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-. With a topological polar surface area (TPSA) of 59.1 Ų, Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- has 1 hydrogen bond donor(s) and 4 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 Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-?
The CAS number of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- is 2199-06-6.
What is the molecular formula of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-?
The molecular formula of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- is C15H20O4.
What is the molecular weight of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-?
The molecular weight of Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- is 264.14 g/mol.
Where can I buy Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-?
You can request a quote for Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.