2,4,5-Trimethoxystyrene
TL;DR: 2,4,5-Trimethoxystyrene (CAS 17598-03-7) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-2,4,5-trimethoxybenzene
Also Known As: 2,4,5-Trimethoxystyrene, 1-ethenyl-2,4,5-trimethoxybenzene, 2,4,5-Tms, 1,2,4-trimethoxy-5-vinylbenzene, 2,4,5-Trimethoxy-styrene
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 17598-03-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C=C)OC)OC |
| InChIKey | DAINMNHDGRVBQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethoxystyrene (CAS 17598-03-7), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-ethenyl-2,4,5-trimethoxybenzene.
Chemical Property Profile of 2,4,5-Trimethoxystyrene
Property Insights of 2,4,5-Trimethoxystyrene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethoxystyrene. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4,5-Trimethoxystyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethoxystyrene 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 2,4,5-Trimethoxystyrene?
The CAS number of 2,4,5-Trimethoxystyrene is 17598-03-7.
What is the molecular formula of 2,4,5-Trimethoxystyrene?
The molecular formula of 2,4,5-Trimethoxystyrene is C11H14O3.
What is the molecular weight of 2,4,5-Trimethoxystyrene?
The molecular weight of 2,4,5-Trimethoxystyrene is 194.09 g/mol.
Where can I buy 2,4,5-Trimethoxystyrene?
You can request a quote for 2,4,5-Trimethoxystyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethoxystyrene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethoxystyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.