Chaparrinone
TL;DR: Chaparrinone (CAS 22611-34-3) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Also Known As: Chaparrinone, (-)-Chaparrinone, Chapparinone, CHAPARRINONE B810280K028, trihydroxy(trimethyl)[?]dione
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 22611-34-3 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O |
| InChIKey | VLYMLZRDCSQUQF-RZUZYEBMSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chaparrinone (CAS 22611-34-3), with molecular formula C20H26O7 and molecular weight 378.17 g/mol. IUPAC: (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione.
Chemical Property Profile of Chaparrinone
Property Insights of Chaparrinone
The XLogP value of -0.4 indicates that Chaparrinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chaparrinone. Following Lipinski's Rule of Five, Chaparrinone has 3 hydrogen bond donor(s) and 7 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 Chaparrinone?
The CAS number of Chaparrinone is 22611-34-3.
What is the molecular formula of Chaparrinone?
The molecular formula of Chaparrinone is C20H26O7.
What is the molecular weight of Chaparrinone?
The molecular weight of Chaparrinone is 378.17 g/mol.
Where can I buy Chaparrinone?
You can request a quote for Chaparrinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaparrinone?
Yes, KEHONG BIO provides custom synthesis services for Chaparrinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.