![3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid structure](/static/products/569/5694-97-3.png)
3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid
TL;DR: 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid (CAS 5694-97-3) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid
Also Known As: 4-ethylenedioxyheptane-1,7-dioic acid, 3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 5694-97-3 |
|---|---|
| SMILES | C1COC(O1)(CCC(=O)O)CCC(=O)O |
| InChIKey | XTXCCODEPBPXFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid (CAS 5694-97-3), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: 3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid.
Chemical Property Profile of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid
Property Insights of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid
The XLogP value of -0.6 indicates that 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid has 2 hydrogen bond donor(s) and 6 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-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid?
The CAS number of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid is 5694-97-3.
What is the molecular formula of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid?
The molecular formula of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid is C9H14O6.
What is the molecular weight of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid?
The molecular weight of 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid is 218.08 g/mol.
Where can I buy 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid?
You can request a quote for 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-Carboxyethyl)-1,3-dioxolan-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.