3-(3-Ethoxy-isoxazol-5-yl)-propionic acid
TL;DR: 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid (CAS 682357-49-9) is a chemical compound with molecular formula C8H11NO4 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid
Also Known As: 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid, 3-(3-ethoxyisoxazol-5-yl)propanoic acid, 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid, 2-tert-butyl-1H-indol-5-amine, BAS 12342198
| Molecular Formula | C8H11NO4 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 1.0905 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.0688 |
| Heavy Atoms | 13 |
| Complexity | 281.42633 |
Chemical Identifiers
| CAS Number | 682357-49-9 |
|---|---|
| SMILES | CCOC1=NOC(=C1)CCC(=O)O |
Product Overview
3-(3-Ethoxy-isoxazol-5-yl)-propionic acid (CAS 682357-49-9), with molecular formula C8H11NO4 and molecular weight 185.07 g/mol. IUPAC: 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid.
Chemical Property Profile of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid
Property Insights of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid
The XLogP value of 1.0905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(3-Ethoxy-isoxazol-5-yl)-propionic 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 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid?
The CAS number of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid is 682357-49-9.
What is the molecular formula of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid?
The molecular formula of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid is C8H11NO4.
What is the molecular weight of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid?
The molecular weight of 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid is 185.07 g/mol.
Where can I buy 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid?
You can request a quote for 3-(3-Ethoxy-isoxazol-5-yl)-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-(3-Ethoxy-isoxazol-5-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Ethoxy-isoxazol-5-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.