榄香素
TL;DR: 榄香素 (CAS 487-11-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
榄香素
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
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
| Boiling Point | 152.00 to 156.00 °C. @ 17.00 mm Hg |
| Density | 1.058-1.070 |
| Solubility | Practically insoluble to insoluble in water |
| Refractive Index | 1.529-1.534 |
Chemical Identifiers
| CAS Number | 487-11-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC=C |
| InChIKey | BPLQKQKXWHCZSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
榄香素 (CAS 487-11-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1,2,3-trimethoxy-5-prop-2-enylbenzene.
Chemical Property Profile of 榄香素
Property Insights of 榄香素
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 榄香素. With a topological polar surface area (TPSA) of 27.7 Ų, 榄香素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 榄香素 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
Frequently Asked Questions
What is the CAS number of 榄香素?
The CAS number of 榄香素 is 487-11-6.
What is the molecular formula of 榄香素?
The molecular formula of 榄香素 is C12H16O3.
What is the molecular weight of 榄香素?
The molecular weight of 榄香素 is 208.11 g/mol.
Where can I buy 榄香素?
You can request a quote for 榄香素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 榄香素?
Yes, KEHONG BIO provides custom synthesis services for 榄香素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.