Peroxyparthenolide
TL;DR: Peroxyparthenolide (CAS 64845-91-6) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroperoxy-4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
Also Known As: Peroxyparthenolid, PEROXYPARTHENOLIDE, 4-Hydroperoxy-1a-methyl-5,8-dimethylidenedecahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 7-Hydroperoxy-4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 64845-91-6 |
|---|---|
| SMILES | CC12CCC(C(=C)CCC3C(C1O2)OC(=O)C3=C)OO |
| InChIKey | LVTLWUXRARHGCA-UHFFFAOYSA-N |
Product Overview
Peroxyparthenolide (CAS 64845-91-6), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: 7-hydroperoxy-4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one.
Chemical Property Profile of Peroxyparthenolide
Property Insights of Peroxyparthenolide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peroxyparthenolide. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Peroxyparthenolide. Following Lipinski's Rule of Five, Peroxyparthenolide has 1 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 Peroxyparthenolide?
The CAS number of Peroxyparthenolide is 64845-91-6.
What is the molecular formula of Peroxyparthenolide?
The molecular formula of Peroxyparthenolide is C15H20O5.
What is the molecular weight of Peroxyparthenolide?
The molecular weight of Peroxyparthenolide is 280.13 g/mol.
Where can I buy Peroxyparthenolide?
You can request a quote for Peroxyparthenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peroxyparthenolide?
Yes, KEHONG BIO provides custom synthesis services for Peroxyparthenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.