8alpha-Tigloyloxyhirsutinolide 13-O-acetate
TL;DR: 8alpha-Tigloyloxyhirsutinolide 13-O-acetate (CAS 83182-58-5) is a chemical compound with molecular formula C22H28O8 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2E,8S,10R,11S)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate
Also Known As: centTGH, 8alpha-Tigloyloxyhirsutinolide 13-O-acetate, A-Tigloyloxyhirsutinolide 13-O-acetate, 8a-Tigloyloxyhirsutinolide 13-O-acetate, 8alpha-Tigloyloxyhirsutinolide13-O-acetate
| Molecular Formula | C22H28O8 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 2.4623 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.1784 |
| Heavy Atoms | 30 |
| Complexity | 866.36334 |
Chemical Identifiers
| CAS Number | 83182-58-5 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@@]2(CC[C@@](O2)(/C=C/3\C1=C(C(=O)O3)COC(=O)C)C)O)C |
Product Overview
8alpha-Tigloyloxyhirsutinolide 13-O-acetate (CAS 83182-58-5), with molecular formula C22H28O8 and molecular weight 420.18 g/mol. IUPAC: [(1R,2E,8S,10R,11S)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate
Property Insights of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate
The XLogP value of 2.4623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8alpha-Tigloyloxyhirsutinolide 13-O-acetate. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 8alpha-Tigloyloxyhirsutinolide 13-O-acetate. Following Lipinski's Rule of Five, 8alpha-Tigloyloxyhirsutinolide 13-O-acetate has 1 hydrogen bond donor(s) and 8 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-Tigloyloxyhirsutinolide 13-O-acetate?
The CAS number of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate is 83182-58-5.
What is the molecular formula of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate?
The molecular formula of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate is C22H28O8.
What is the molecular weight of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate?
The molecular weight of 8alpha-Tigloyloxyhirsutinolide 13-O-acetate is 420.18 g/mol.
Where can I buy 8alpha-Tigloyloxyhirsutinolide 13-O-acetate?
You can request a quote for 8alpha-Tigloyloxyhirsutinolide 13-O-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8alpha-Tigloyloxyhirsutinolide 13-O-acetate?
Yes, KEHONG BIO provides custom synthesis services for 8alpha-Tigloyloxyhirsutinolide 13-O-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.