4,5-Dihydro-1,2-oxazole-3-carboxylic acid
TL;DR: 4,5-Dihydro-1,2-oxazole-3-carboxylic acid (CAS 4485-98-7) is a chemical compound with molecular formula C4H5NO3 and molecular weight 115.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1,2-oxazole-3-carboxylic acid
Also Known As: 4,5-dihydro-1,2-oxazole-3-carboxylic acid, isoxazolinecarboxylic acid, 2-isoxazoline-3-carboxylic acid, 4,5-dihydroisoxazole-3-carboxylic acid, 3-isoxazolecarboxylic acid, 4,5-dihydro-
| Molecular Formula | C4H5NO3 |
|---|---|
| Molecular Weight | 115.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.02694 |
| Heavy Atoms | 8 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4485-98-7 |
|---|---|
| SMILES | C1CON=C1C(=O)O |
| InChIKey | ZYDBNGULYNHMSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dihydro-1,2-oxazole-3-carboxylic acid (CAS 4485-98-7), with molecular formula C4H5NO3 and molecular weight 115.03 g/mol. IUPAC: 4,5-dihydro-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid
Property Insights of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid
The XLogP value of -0.2 indicates that 4,5-Dihydro-1,2-oxazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, 4,5-Dihydro-1,2-oxazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-1,2-oxazole-3-carboxylic 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 4,5-Dihydro-1,2-oxazole-3-carboxylic acid?
The CAS number of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid is 4485-98-7.
What is the molecular formula of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid?
The molecular formula of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid is C4H5NO3.
What is the molecular weight of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid?
The molecular weight of 4,5-Dihydro-1,2-oxazole-3-carboxylic acid is 115.03 g/mol.
Where can I buy 4,5-Dihydro-1,2-oxazole-3-carboxylic acid?
You can request a quote for 4,5-Dihydro-1,2-oxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-1,2-oxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1,2-oxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.