Chaparrinone triacetate
TL;DR: Chaparrinone triacetate (CAS 990-33-0) is a chemical compound with molecular formula C26H32O10 and molecular weight 504.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,15-diacetyloxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-17-yl)methyl acetate
Also Known As: CHAPARRINONE TRIACETATE, 2,11,16-Trioxopicras-3-ene-1,12,20-triyl triacetate
| Molecular Formula | C26H32O10 |
|---|---|
| Molecular Weight | 504.20 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.19955 |
| Heavy Atoms | 36 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 990-33-0 |
|---|---|
| SMILES | CC1C2CC(=O)OC3C2(C(C(=O)C1OC(=O)C)C4(C(C3)C(=CC(=O)C4OC(=O)C)C)C)COC(=O)C |
| InChIKey | ZOURDFBRMWJVKJ-UHFFFAOYSA-N |
Product Overview
Chaparrinone triacetate (CAS 990-33-0), with molecular formula C26H32O10 and molecular weight 504.20 g/mol. IUPAC: (3,15-diacetyloxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-17-yl)methyl acetate.
Chemical Property Profile of Chaparrinone triacetate
Property Insights of Chaparrinone triacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chaparrinone triacetate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chaparrinone triacetate. Following Lipinski's Rule of Five, Chaparrinone triacetate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chaparrinone triacetate?
The CAS number of Chaparrinone triacetate is 990-33-0.
What is the molecular formula of Chaparrinone triacetate?
The molecular formula of Chaparrinone triacetate is C26H32O10.
What is the molecular weight of Chaparrinone triacetate?
The molecular weight of Chaparrinone triacetate is 504.20 g/mol.
Where can I buy Chaparrinone triacetate?
You can request a quote for Chaparrinone triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaparrinone triacetate?
Yes, KEHONG BIO provides custom synthesis services for Chaparrinone triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.