Chaparrinone triacetate,15-dehydro
TL;DR: Chaparrinone triacetate,15-dehydro (CAS 79802-82-7) is a chemical compound with molecular formula C26H30O11 and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,15-diacetyloxy-7-hydroxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-dien-17-yl)methyl acetate
Also Known As: CHAPARRINONE TRIACETATE,15-DEHYDRO, 5-Hydroxy-.DELTA.14,15-chaparrinone triacetate, 5-Hydroxy-2,11,16-trioxopicrasa-3,14-diene-1,12,20-triyl triacetate
| Molecular Formula | C26H30O11 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.17883 |
| Heavy Atoms | 37 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 79802-82-7 |
|---|---|
| SMILES | CC1C(C(=O)C2C3(C(C(=O)C=C(C3(CC4C2(C1=CC(=O)O4)COC(=O)C)O)C)OC(=O)C)C)OC(=O)C |
| InChIKey | BDIVMRHJDSWSND-UHFFFAOYSA-N |
Product Overview
Chaparrinone triacetate,15-dehydro (CAS 79802-82-7), with molecular formula C26H30O11 and molecular weight 518.18 g/mol. IUPAC: (3,15-diacetyloxy-7-hydroxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-dien-17-yl)methyl acetate.
Chemical Property Profile of Chaparrinone triacetate,15-dehydro
Property Insights of Chaparrinone triacetate,15-dehydro
The XLogP value of -0.2 indicates that Chaparrinone triacetate,15-dehydro is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Chaparrinone triacetate,15-dehydro may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chaparrinone triacetate,15-dehydro has 1 hydrogen bond donor(s) and 11 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,15-dehydro?
The CAS number of Chaparrinone triacetate,15-dehydro is 79802-82-7.
What is the molecular formula of Chaparrinone triacetate,15-dehydro?
The molecular formula of Chaparrinone triacetate,15-dehydro is C26H30O11.
What is the molecular weight of Chaparrinone triacetate,15-dehydro?
The molecular weight of Chaparrinone triacetate,15-dehydro is 518.18 g/mol.
Where can I buy Chaparrinone triacetate,15-dehydro?
You can request a quote for Chaparrinone triacetate,15-dehydro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaparrinone triacetate,15-dehydro?
Yes, KEHONG BIO provides custom synthesis services for Chaparrinone triacetate,15-dehydro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.