Verrol
TL;DR: Verrol (CAS 84412-91-9) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,11R,12S)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-5-hydroxy-3-methylpent-2-enoate
Also Known As: Verrol, Verrol[terpene], (-)-Verrol(terpene), J1.280.611F, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-((2E)-5-hydroxy-3-methyl-2-pentenoate), (4beta)-
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 1.8921 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 692.7854 |
Chemical Identifiers
| CAS Number | 84412-91-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)O)C)COC(=O)/C=C(\C)/CCO |
Product Overview
Verrol (CAS 84412-91-9), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: [(1S,2R,7R,9R,11R,12S)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-5-hydroxy-3-methylpent-2-enoate.
Chemical Property Profile of Verrol
Property Insights of Verrol
The XLogP value of 1.8921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verrol. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Verrol. Following Lipinski's Rule of Five, Verrol has 2 hydrogen bond donor(s) and 6 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 Verrol?
The CAS number of Verrol is 84412-91-9.
What is the molecular formula of Verrol?
The molecular formula of Verrol is C21H30O6.
What is the molecular weight of Verrol?
The molecular weight of Verrol is 378.20 g/mol.
Where can I buy Verrol?
You can request a quote for Verrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verrol?
Yes, KEHONG BIO provides custom synthesis services for Verrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.