De-epoxide scirpenetriol
TL;DR: De-epoxide scirpenetriol (CAS 101199-15-9) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-10,11-diol
Also Known As: De-epoxide scirpenetriol, Deepoxy-delta12-scirpenetriol, Trichotheca-9,12-diene-3,4,15-triol, Trichotheca-9,12-diene-3,4,15-triol, (3alpha,4beta)-, Trichotheca-9,12-diene-3alpha,4beta,15-triol
Technical Specifications
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.1518 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.1518 Da |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)CO |
| InChIKey | IXDZDIOQLWZDAM-YXJLRHLOSA-N |
Chemical Property Profile of De-epoxide scirpenetriol
Property Insights of De-epoxide scirpenetriol
The XLogP value of -0.3 indicates that De-epoxide scirpenetriol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for De-epoxide scirpenetriol. Following Lipinski's Rule of Five, De-epoxide scirpenetriol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of De-epoxide scirpenetriol?
The CAS number of De-epoxide scirpenetriol is 101199-15-9.
What is the molecular formula of De-epoxide scirpenetriol?
The molecular formula of De-epoxide scirpenetriol is C15H22O4.
What is the molecular weight of De-epoxide scirpenetriol?
The molecular weight of De-epoxide scirpenetriol is 266.1518 g/mol.
Where can I buy De-epoxide scirpenetriol?
You can request a quote for De-epoxide scirpenetriol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for De-epoxide scirpenetriol?
Yes, CoreyChem provides custom synthesis services for De-epoxide scirpenetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.