12,13-Epoxytrichothec-9-en-3-ol
TL;DR: 12,13-Epoxytrichothec-9-en-3-ol (CAS 104155-10-4) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-ol
Also Known As: Isotrichodermol, KST-1A0630, 12,13-Epoxytrichothec-9-en-3-ol, (3, A,12xi)-12,13-epoxytrichothec-9-en-3-ol
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 104155-10-4 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H](C34CO4)O2)O)C)C |
| InChIKey | ICJDGHMOMSQSLB-PYMBJFBLSA-N |
Product Overview
12,13-Epoxytrichothec-9-en-3-ol (CAS 104155-10-4), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (1R,2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-ol.
Chemical Property Profile of 12,13-Epoxytrichothec-9-en-3-ol
Property Insights of 12,13-Epoxytrichothec-9-en-3-ol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-Epoxytrichothec-9-en-3-ol. With a topological polar surface area (TPSA) of 42.0 Ų, 12,13-Epoxytrichothec-9-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,13-Epoxytrichothec-9-en-3-ol has 1 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 12,13-Epoxytrichothec-9-en-3-ol?
The CAS number of 12,13-Epoxytrichothec-9-en-3-ol is 104155-10-4.
What is the molecular formula of 12,13-Epoxytrichothec-9-en-3-ol?
The molecular formula of 12,13-Epoxytrichothec-9-en-3-ol is C15H22O3.
What is the molecular weight of 12,13-Epoxytrichothec-9-en-3-ol?
The molecular weight of 12,13-Epoxytrichothec-9-en-3-ol is 250.16 g/mol.
Where can I buy 12,13-Epoxytrichothec-9-en-3-ol?
You can request a quote for 12,13-Epoxytrichothec-9-en-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Epoxytrichothec-9-en-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Epoxytrichothec-9-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.