Deoxyelephantopin
TL;DR: Deoxyelephantopin (CAS 38927-54-7) 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.
[(3S,4R,8R,9Z,12R)-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, Elephantopin, deoxy-; NSC 259726, (3aR,4S,9R,11E,12aR)-11-Methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl methacrylate, [(3S,4R,8R,9Z,12R)-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
| Molecular Formula | C19H20O6 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.164 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.12598 |
| Heavy Atoms | 25 |
| Complexity | 741.0133 |
Chemical Identifiers
| CAS Number | 38927-54-7 |
|---|---|
| SMILES | C/C/1=C/[C@@H]2[C@@H]([C@H](CC3=C[C@@H](C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2 |
Product Overview
Deoxyelephantopin (CAS 38927-54-7), with molecular formula C19H20O6 and molecular weight 344.13 g/mol. IUPAC: [(3S,4R,8R,9Z,12R)-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 Deoxyelephantopin
Property Insights of Deoxyelephantopin
The XLogP value of 2.164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxyelephantopin. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxyelephantopin. Following Lipinski's Rule of Five, Deoxyelephantopin 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 Deoxyelephantopin?
The CAS number of Deoxyelephantopin is 38927-54-7.
What is the molecular formula of Deoxyelephantopin?
The molecular formula of Deoxyelephantopin is C19H20O6.
What is the molecular weight of Deoxyelephantopin?
The molecular weight of Deoxyelephantopin is 344.13 g/mol.
Where can I buy Deoxyelephantopin?
You can request a quote for Deoxyelephantopin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyelephantopin?
Yes, KEHONG BIO provides custom synthesis services for Deoxyelephantopin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.