3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid
TL;DR: 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid (CAS 40995-85-5) is a chemical compound with molecular formula C14H18O6 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-carboxyethyl)-2,5-dimethoxyphenyl]propanoic acid
Also Known As: 3-(4-(2-CARBOXY-ETHYL)-2,5-DIMETHOXY-PHENYL)-PROPIONIC ACID, 3-[4-(2-carboxyethyl)-2,5-dimethoxy-phenyl]propanoic Acid, 3-[4-(2-carboxyethyl)-2,5-dimethoxyphenyl]propanoic acid
| Molecular Formula | C14H18O6 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.7382 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.11035 |
| Heavy Atoms | 20 |
| Complexity | 448.93265 |
Chemical Identifiers
| CAS Number | 40995-85-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CCC(=O)O)OC)CCC(=O)O |
Product Overview
3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid (CAS 40995-85-5), with molecular formula C14H18O6 and molecular weight 282.11 g/mol. IUPAC: 3-[4-(2-carboxyethyl)-2,5-dimethoxyphenyl]propanoic acid.
Chemical Property Profile of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid
Property Insights of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid
The XLogP value of 1.7382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid. Following Lipinski's Rule of Five, 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid has 2 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-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid?
The CAS number of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid is 40995-85-5.
What is the molecular formula of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid?
The molecular formula of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid is C14H18O6.
What is the molecular weight of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid?
The molecular weight of 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid is 282.11 g/mol.
Where can I buy 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid?
You can request a quote for 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic 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-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(2-Carboxy-ethyl)-2,5-dimethoxy-phenyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.