3-(3-Chloroisoxazol-5-yl)propanoic acid
TL;DR: 3-(3-Chloroisoxazol-5-yl)propanoic acid (CAS 81645-08-1) is a chemical compound with molecular formula C6H6ClNO3 and molecular weight 175.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-1,2-oxazol-5-yl)propanoic acid
Also Known As: 3-(3-chloroisoxazol-5-yl)propanoic acid, 3-(3-chloro-1,2-oxazol-5-yl)propanoic acid, 3-Chloro-5-isoxazolepropanoic acid, 3-(3-Chloro-isoxazol-5-yl)-propionic acid, TimTec1_006349
| Molecular Formula | C6H6ClNO3 |
|---|---|
| Molecular Weight | 175.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.00362 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 81645-08-1 |
|---|---|
| SMILES | C1=C(ON=C1Cl)CCC(=O)O |
| InChIKey | ZGQBVKLPCMHTEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Chloroisoxazol-5-yl)propanoic acid (CAS 81645-08-1), with molecular formula C6H6ClNO3 and molecular weight 175.00 g/mol. IUPAC: 3-(3-chloro-1,2-oxazol-5-yl)propanoic acid.
Chemical Property Profile of 3-(3-Chloroisoxazol-5-yl)propanoic acid
Property Insights of 3-(3-Chloroisoxazol-5-yl)propanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloroisoxazol-5-yl)propanoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloroisoxazol-5-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-Chloroisoxazol-5-yl)propanoic 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-Chloroisoxazol-5-yl)propanoic acid?
The CAS number of 3-(3-Chloroisoxazol-5-yl)propanoic acid is 81645-08-1.
What is the molecular formula of 3-(3-Chloroisoxazol-5-yl)propanoic acid?
The molecular formula of 3-(3-Chloroisoxazol-5-yl)propanoic acid is C6H6ClNO3.
What is the molecular weight of 3-(3-Chloroisoxazol-5-yl)propanoic acid?
The molecular weight of 3-(3-Chloroisoxazol-5-yl)propanoic acid is 175.00 g/mol.
Where can I buy 3-(3-Chloroisoxazol-5-yl)propanoic acid?
You can request a quote for 3-(3-Chloroisoxazol-5-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-(3-Chloroisoxazol-5-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloroisoxazol-5-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.