Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-
TL;DR: Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- (CAS 81452-35-9) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Also Known As: Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-, 3,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 81452-35-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1=O)([C@]3(CC([C@H]([C@@]34CO4)O2)O)C)CO |
| InChIKey | KMTSLOIAULARKN-CIJFKWAFSA-N |
Product Overview
Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- (CAS 81452-35-9), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: (1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[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-3,15-dihydroxy-
Property Insights of Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-
The XLogP value of -0.7 indicates that Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-. Following Lipinski's Rule of Five, Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- has 2 hydrogen bond donor(s) and 5 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-3,15-dihydroxy-?
The CAS number of Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- is 81452-35-9.
What is the molecular formula of Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-?
The molecular formula of Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- is C15H20O5.
What is the molecular weight of Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-?
The molecular weight of Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- is 280.13 g/mol.
Where can I buy Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-?
You can request a quote for Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- 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-3,15-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.