3,4,5-Trimethoxybenzaldehyde
TL;DR: 3,4,5-Trimethoxybenzaldehyde (CAS 86-81-7) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trimethoxybenzaldehyde
Also Known As: 3,4,5-TRIMETHOXYBENZALDEHYDE, Benzaldehyde, 3,4,5-trimethoxy-, null, TMBA, 3,4,5-trimethoxy-benzaldehyde
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.07356 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| Vapor Pressure | 0.00113 [mmHg] |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=O |
| InChIKey | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
Product Description
Applications: 3,4,5-Trimethoxybenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,4,5-Trimethoxybenzaldehyde (CAS 86-81-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,4,5-Trimethoxybenzaldehyde is a heterocyclic building block identified by CAS number 86-81-7 and the molecular formula C10H12O4 and a molecular weight of 196.07 g/mol. It is also known as 3,4,5-TRIMETHOXYBENZALDEHYDE and Benzaldehyde, 3,4,5-trimethoxy-.
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 3,4,5-Trimethoxybenzaldehyde
Property Insights of 3,4,5-Trimethoxybenzaldehyde
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxybenzaldehyde. With a topological polar surface area (TPSA) of 44.8 Ų, 3,4,5-Trimethoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethoxybenzaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4,5-Trimethoxybenzaldehyde?
The CAS number of 3,4,5-Trimethoxybenzaldehyde is 86-81-7.
What is the molecular formula of 3,4,5-Trimethoxybenzaldehyde?
The molecular formula of 3,4,5-Trimethoxybenzaldehyde is C10H12O4.
What is the molecular weight of 3,4,5-Trimethoxybenzaldehyde?
The molecular weight of 3,4,5-Trimethoxybenzaldehyde is 196.07356 g/mol.
What are the applications of 3,4,5-Trimethoxybenzaldehyde?
3,4,5-Trimethoxybenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3,4,5-Trimethoxybenzaldehyde?
You can request a quote for 3,4,5-Trimethoxybenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,5-Trimethoxybenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3,4,5-Trimethoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.