8alpha-Hydroxyverrucarol
TL;DR: 8alpha-Hydroxyverrucarol (CAS 74516-69-1) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,11-diol
Also Known As: 8alpha-Hydroxyverrucarol, Propanoic acid, sodium salt (2:1), Trichothec-9-ene-4,8,15-triol, 12,13-epoxy-, (4beta,8alpha)-
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 74516-69-1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)O)C)CO |
| InChIKey | HOHOIVLGGGAGHT-SQLRZLLCSA-N |
Product Overview
8alpha-Hydroxyverrucarol (CAS 74516-69-1), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: (1S,2R,4S,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,11-diol.
Chemical Property Profile of 8alpha-Hydroxyverrucarol
Property Insights of 8alpha-Hydroxyverrucarol
The XLogP value of -1.1 indicates that 8alpha-Hydroxyverrucarol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8alpha-Hydroxyverrucarol. Following Lipinski's Rule of Five, 8alpha-Hydroxyverrucarol has 3 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 8alpha-Hydroxyverrucarol?
The CAS number of 8alpha-Hydroxyverrucarol is 74516-69-1.
What is the molecular formula of 8alpha-Hydroxyverrucarol?
The molecular formula of 8alpha-Hydroxyverrucarol is C15H22O5.
What is the molecular weight of 8alpha-Hydroxyverrucarol?
The molecular weight of 8alpha-Hydroxyverrucarol is 282.15 g/mol.
Where can I buy 8alpha-Hydroxyverrucarol?
You can request a quote for 8alpha-Hydroxyverrucarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8alpha-Hydroxyverrucarol?
Yes, KEHONG BIO provides custom synthesis services for 8alpha-Hydroxyverrucarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.