3,4,5-Trimethoxyphenylacetic acid
TL;DR: 3,4,5-Trimethoxyphenylacetic acid (CAS 951-82-6) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxyphenyl)acetic acid
Also Known As: 3,4,5-Trimethoxyphenylacetic acid, 2-(3,4,5-trimethoxyphenyl)acetic acid, 4-Bromoantipyrine, Benzeneacetic acid, 3,4,5-trimethoxy-, (3,4,5-trimethoxyphenyl)acetic acid
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 951-82-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=O)O |
| InChIKey | DDSJXCGGOXKGSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxyphenylacetic acid (CAS 951-82-6), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)acetic acid.
Chemical Property Profile of 3,4,5-Trimethoxyphenylacetic acid
Property Insights of 3,4,5-Trimethoxyphenylacetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxyphenylacetic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxyphenylacetic acid. Following Lipinski's Rule of Five, 3,4,5-Trimethoxyphenylacetic acid has 1 hydrogen bond donor(s) and 5 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-Trimethoxyphenylacetic acid?
The CAS number of 3,4,5-Trimethoxyphenylacetic acid is 951-82-6.
What is the molecular formula of 3,4,5-Trimethoxyphenylacetic acid?
The molecular formula of 3,4,5-Trimethoxyphenylacetic acid is C11H14O5.
What is the molecular weight of 3,4,5-Trimethoxyphenylacetic acid?
The molecular weight of 3,4,5-Trimethoxyphenylacetic acid is 226.08 g/mol.
Where can I buy 3,4,5-Trimethoxyphenylacetic acid?
You can request a quote for 3,4,5-Trimethoxyphenylacetic acid 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-Trimethoxyphenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxyphenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.