Isodeoxyelephantopin
TL;DR: Isodeoxyelephantopin (CAS 29307-03-7) is a chemical compound with molecular formula C19H20O6 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl) 2-methylprop-2-enoate
Also Known As: Deoxyelephantopin, Isodeoxyelephantopin, Deoxyelaphantopin, Elephantopin, deoxy-; NSC 259726, 4CN-1315
| Molecular Formula | C19H20O6 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.12598 |
| Heavy Atoms | 25 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 29307-03-7 |
|---|---|
| SMILES | CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2 |
| InChIKey | JMUOPRSXUVOHFE-UHFFFAOYSA-N |
Product Overview
Isodeoxyelephantopin (CAS 29307-03-7), with molecular formula C19H20O6 and molecular weight 344.13 g/mol. IUPAC: (10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl) 2-methylprop-2-enoate.
Chemical Property Profile of Isodeoxyelephantopin
Property Insights of Isodeoxyelephantopin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodeoxyelephantopin. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodeoxyelephantopin. Following Lipinski's Rule of Five, Isodeoxyelephantopin has 0 hydrogen bond donor(s) and 6 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 Isodeoxyelephantopin?
The CAS number of Isodeoxyelephantopin is 29307-03-7.
What is the molecular formula of Isodeoxyelephantopin?
The molecular formula of Isodeoxyelephantopin is C19H20O6.
What is the molecular weight of Isodeoxyelephantopin?
The molecular weight of Isodeoxyelephantopin is 344.13 g/mol.
Where can I buy Isodeoxyelephantopin?
You can request a quote for Isodeoxyelephantopin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodeoxyelephantopin?
Yes, KEHONG BIO provides custom synthesis services for Isodeoxyelephantopin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.