3,4,5-三甲氧基苯甲醛
TL;DR: 3,4,5-三甲氧基苯甲醛 (CAS 86-81-7) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-三甲氧基苯甲醛
3,4,5-trimethoxybenzaldehyde
Also Known As: 3,4,5-TRIMETHOXYBENZALDEHYDE, Benzaldehyde, 3,4,5-trimethoxy-, null, TMBA, 3,4,5-trimethoxy-benzaldehyde
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| Vapor Pressure | 0.00113 [mmHg] |
Chemical Identifiers
| CAS Number | 86-81-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=O |
| InChIKey | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-三甲氧基苯甲醛 (CAS 86-81-7), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 3,4,5-trimethoxybenzaldehyde.
Chemical Property Profile of 3,4,5-三甲氧基苯甲醛
Property Insights of 3,4,5-三甲氧基苯甲醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-三甲氧基苯甲醛. With a topological polar surface area (TPSA) of 44.8 Ų, 3,4,5-三甲氧基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-三甲氧基苯甲醛 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
Frequently Asked Questions
What is the CAS number of 3,4,5-三甲氧基苯甲醛?
The CAS number of 3,4,5-三甲氧基苯甲醛 is 86-81-7.
What is the molecular formula of 3,4,5-三甲氧基苯甲醛?
The molecular formula of 3,4,5-三甲氧基苯甲醛 is C10H12O4.
What is the molecular weight of 3,4,5-三甲氧基苯甲醛?
The molecular weight of 3,4,5-三甲氧基苯甲醛 is 196.07 g/mol.
Where can I buy 3,4,5-三甲氧基苯甲醛?
You can request a quote for 3,4,5-三甲氧基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-三甲氧基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-三甲氧基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.