3-O-decylellagic acid
TL;DR: 3-O-decylellagic acid (CAS 110007-19-7) is a chemical compound with molecular formula C24H26O8 and molecular weight 442.16278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-decoxy-6,13,14-trihydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Also Known As: 3-O-Decylellagic acid, DECYLELLAGIC ACID, 3-O-, (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 3-(decyloxy)-2,7,8-trihydroxy-, (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione,3-(decyloxy)-2,7,8-trihydroxy, 3-(Decyloxy)-2,7,8-trihydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
Technical Specifications
| Molecular Formula | C24H26O8 |
| Molecular Weight | 442.16278 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.16278 Da |
| Heavy Atoms | 32 |
| Complexity | 668.0 |
| SMILES | CCCCCCCCCCOC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O)O |
| InChIKey | IOLJKBSBRLZDIU-UHFFFAOYSA-N |
Chemical Property Profile of 3-O-decylellagic acid
Property Insights of 3-O-decylellagic acid
The XLogP value of 5.9 indicates that 3-O-decylellagic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-decylellagic acid. Following Lipinski's Rule of Five, 3-O-decylellagic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-O-decylellagic acid?
The CAS number of 3-O-decylellagic acid is 110007-19-7.
What is the molecular formula of 3-O-decylellagic acid?
The molecular formula of 3-O-decylellagic acid is C24H26O8.
What is the molecular weight of 3-O-decylellagic acid?
The molecular weight of 3-O-decylellagic acid is 442.16278 g/mol.
Where can I buy 3-O-decylellagic acid?
You can request a quote for 3-O-decylellagic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-O-decylellagic acid?
Yes, CoreyChem provides custom synthesis services for 3-O-decylellagic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.