Elemicin
TL;DR: Elemicin (CAS 487-11-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3-trimethoxy-5-prop-2-enylbenzene
Also Known As: Elemicin, 5-Allyl-1,2,3-trimethoxybenzene, Elemicine, 3,4,5-Trimethoxyallylbenzene, 1,2,3-trimethoxy-5-prop-2-enylbenzene
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
| Boiling Point | 152.00 to 156.00 °C. @ 17.00 mm Hg |
| Density | 1.058-1.070 |
| Refractive Index | 1.529-1.534 |
| Solubility | Practically insoluble to insoluble in water |
| SMILES | COC1=CC(=CC(=C1OC)OC)CC=C |
| InChIKey | BPLQKQKXWHCZSS-UHFFFAOYSA-N |
Product Description
Applications: Elemicin is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Elemicin (CAS 487-11-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Elemicin (CAS 487-11-6) has the molecular formula C12H16O3 and a molecular weight of 208.11 g/mol. Reported properties include a density of 1.058-1.070 g/cm³, a solubility: Practically insoluble to insoluble in water. It is also known as Elemicin and 5-Allyl-1,2,3-trimethoxybenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Elemicin
Property Insights of Elemicin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elemicin. With a topological polar surface area (TPSA) of 27.7 Ų, Elemicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elemicin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Elemicin?
The CAS number of Elemicin is 487-11-6.
What is the molecular formula of Elemicin?
The molecular formula of Elemicin is C12H16O3.
What is the molecular weight of Elemicin?
The molecular weight of Elemicin is 208.10994 g/mol.
What are the applications of Elemicin?
Elemicin is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Elemicin (CAS 487-11-6) with custom synthesis...
Where can I buy Elemicin?
You can request a quote for Elemicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Elemicin?
Yes, CoreyChem provides custom synthesis services for Elemicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.