12,13-Epoxytrichothec-9-ene-4,15-diol
TL;DR: 12,13-Epoxytrichothec-9-ene-4,15-diol (CAS 80514-49-4) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7R,9R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Also Known As: Verrucarol, 12,13-epoxytrichothec-9-ene-4,15-diol, (12xi)-12,13-Epoxytrichothec-9-ene-4beta,15-diol
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 80514-49-4 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H](C34CO4)O2)O)C)CO |
| InChIKey | ZSRVBNXAPSQDFY-SNOSIHCHSA-N |
Product Overview
12,13-Epoxytrichothec-9-ene-4,15-diol (CAS 80514-49-4), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (1S,2R,7R,9R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol.
Chemical Property Profile of 12,13-Epoxytrichothec-9-ene-4,15-diol
Property Insights of 12,13-Epoxytrichothec-9-ene-4,15-diol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-Epoxytrichothec-9-ene-4,15-diol. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-Epoxytrichothec-9-ene-4,15-diol. Following Lipinski's Rule of Five, 12,13-Epoxytrichothec-9-ene-4,15-diol has 2 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 12,13-Epoxytrichothec-9-ene-4,15-diol?
The CAS number of 12,13-Epoxytrichothec-9-ene-4,15-diol is 80514-49-4.
What is the molecular formula of 12,13-Epoxytrichothec-9-ene-4,15-diol?
The molecular formula of 12,13-Epoxytrichothec-9-ene-4,15-diol is C15H22O4.
What is the molecular weight of 12,13-Epoxytrichothec-9-ene-4,15-diol?
The molecular weight of 12,13-Epoxytrichothec-9-ene-4,15-diol is 266.15 g/mol.
Where can I buy 12,13-Epoxytrichothec-9-ene-4,15-diol?
You can request a quote for 12,13-Epoxytrichothec-9-ene-4,15-diol 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-ene-4,15-diol?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Epoxytrichothec-9-ene-4,15-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.