3,3'-di-O-Methylellagic acid
TL;DR: 3,3'-di-O-Methylellagic acid (CAS 2239-88-5) is a chemical compound with molecular formula C16H10O8 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,13-dihydroxy-7,14-dimethoxy-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: 3,3'-Di-O-methylellagic acid, 3,8-Di-O-methylellagic acid, 3,3-di-o-methylellagic acid, 3,3'-di-O-methylellagicacid, 3,3'-dimethoxyellagic acid
| Molecular Formula | C16H10O8 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 1.9188 |
| Topological Polar Surface Area | 119.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.03757 |
| Heavy Atoms | 24 |
| Complexity | 1133.1246 |
Chemical Identifiers
| CAS Number | 2239-88-5 |
|---|---|
| SMILES | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O |
Product Overview
3,3'-di-O-Methylellagic acid (CAS 2239-88-5), with molecular formula C16H10O8 and molecular weight 330.04 g/mol. IUPAC: 6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione.
Chemical Property Profile of 3,3'-di-O-Methylellagic acid
Property Insights of 3,3'-di-O-Methylellagic acid
The XLogP value of 1.9188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-di-O-Methylellagic acid. The TPSA of 119.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-di-O-Methylellagic acid. Following Lipinski's Rule of Five, 3,3'-di-O-Methylellagic acid has 2 hydrogen bond donor(s) and 8 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 3,3'-di-O-Methylellagic acid?
The CAS number of 3,3'-di-O-Methylellagic acid is 2239-88-5.
What is the molecular formula of 3,3'-di-O-Methylellagic acid?
The molecular formula of 3,3'-di-O-Methylellagic acid is C16H10O8.
What is the molecular weight of 3,3'-di-O-Methylellagic acid?
The molecular weight of 3,3'-di-O-Methylellagic acid is 330.04 g/mol.
Where can I buy 3,3'-di-O-Methylellagic acid?
You can request a quote for 3,3'-di-O-Methylellagic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-di-O-Methylellagic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-di-O-Methylellagic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.