Trichothec-9-en-4-one, 12,13-epoxy-
TL;DR: Trichothec-9-en-4-one, 12,13-epoxy- (CAS 2077-58-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,7R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-one
Also Known As: Trichodermone, Trichothec-9-en-4-one, 12,13-epoxy-, 12,13-Epoxytrichothec-9-en-4-one, (12xi)-12,13-Epoxytrichothec-9-en-4-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.2483 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 476.13037 |
Chemical Identifiers
| CAS Number | 2077-58-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(C(=O)CC(C34CO4)O2)C)C |
Product Overview
Trichothec-9-en-4-one, 12,13-epoxy- (CAS 2077-58-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (1R,2R,7R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-one.
Chemical Property Profile of Trichothec-9-en-4-one, 12,13-epoxy-
Property Insights of Trichothec-9-en-4-one, 12,13-epoxy-
The XLogP value of 2.2483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-en-4-one, 12,13-epoxy-. With a topological polar surface area (TPSA) of 38.83 Ų, Trichothec-9-en-4-one, 12,13-epoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichothec-9-en-4-one, 12,13-epoxy- has 0 hydrogen bond donor(s) and 3 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-4-one, 12,13-epoxy-?
The CAS number of Trichothec-9-en-4-one, 12,13-epoxy- is 2077-58-9.
What is the molecular formula of Trichothec-9-en-4-one, 12,13-epoxy-?
The molecular formula of Trichothec-9-en-4-one, 12,13-epoxy- is C15H20O3.
What is the molecular weight of Trichothec-9-en-4-one, 12,13-epoxy-?
The molecular weight of Trichothec-9-en-4-one, 12,13-epoxy- is 248.14 g/mol.
Where can I buy Trichothec-9-en-4-one, 12,13-epoxy-?
You can request a quote for Trichothec-9-en-4-one, 12,13-epoxy- 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-4-one, 12,13-epoxy-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-en-4-one, 12,13-epoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.