3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid
TL;DR: 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid (CAS 202199-07-3) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yl-1,2-oxazole-5-carboxylic acid
Also Known As: 3-isopropylisoxazole-5-carboxylic acid, 3-Isopropyl-isoxazole-5-carboxylic acid, 5-Isoxazolecarboxylic acid, 3-(1-methylethyl)-, 3-isopropyl-5-isoxazolecarboxylic acid, 3-propan-2-yl-1,2-oxazole-5-carboxylic acid
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 202199-07-3 |
|---|---|
| SMILES | CC(C)C1=NOC(=C1)C(=O)O |
| InChIKey | GYOKWSOCMUDVGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid (CAS 202199-07-3), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: 3-propan-2-yl-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid
Property Insights of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(Propan-2-yl)-1,2-oxazole-5-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 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid?
The CAS number of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid is 202199-07-3.
What is the molecular formula of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid?
The molecular formula of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid is C7H9NO3.
What is the molecular weight of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid?
The molecular weight of 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid is 155.06 g/mol.
Where can I buy 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid?
You can request a quote for 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.