2-(3,4,5-trimethoxyphenyl)butanoic Acid
TL;DR: 2-(3,4,5-trimethoxyphenyl)butanoic Acid (CAS 951887-58-4) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxyphenyl)butanoic acid
Also Known As: 2-(3,4,5-trimethoxyphenyl)butanoic Acid, (R/S)-2-(3,4,5-Trimethoxyphenyl)butyric acid, (S)--1-AMINOTETRALINEHCL, (S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid, 2-(3,4,5-Trimethoxyphenyl)butyric acid
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.2906 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 402.38495 |
Chemical Identifiers
| CAS Number | 951887-58-4 |
|---|---|
| SMILES | CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)O |
Product Overview
2-(3,4,5-trimethoxyphenyl)butanoic Acid (CAS 951887-58-4), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)butanoic acid.
Chemical Property Profile of 2-(3,4,5-trimethoxyphenyl)butanoic Acid
Property Insights of 2-(3,4,5-trimethoxyphenyl)butanoic Acid
The XLogP value of 2.2906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4,5-trimethoxyphenyl)butanoic Acid. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4,5-trimethoxyphenyl)butanoic Acid. Following Lipinski's Rule of Five, 2-(3,4,5-trimethoxyphenyl)butanoic Acid has 1 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 2-(3,4,5-trimethoxyphenyl)butanoic Acid?
The CAS number of 2-(3,4,5-trimethoxyphenyl)butanoic Acid is 951887-58-4.
What is the molecular formula of 2-(3,4,5-trimethoxyphenyl)butanoic Acid?
The molecular formula of 2-(3,4,5-trimethoxyphenyl)butanoic Acid is C13H18O5.
What is the molecular weight of 2-(3,4,5-trimethoxyphenyl)butanoic Acid?
The molecular weight of 2-(3,4,5-trimethoxyphenyl)butanoic Acid is 254.12 g/mol.
Where can I buy 2-(3,4,5-trimethoxyphenyl)butanoic Acid?
You can request a quote for 2-(3,4,5-trimethoxyphenyl)butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4,5-trimethoxyphenyl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4,5-trimethoxyphenyl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.