3-Chloro-5-isoxazoleacetic acid
TL;DR: 3-Chloro-5-isoxazoleacetic acid (CAS 54489-25-7) is a chemical compound with molecular formula C5H4ClNO3 and molecular weight 160.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-1,2-oxazol-5-yl)acetic acid
Also Known As: 3-Chloro-5-isoxazoleacetic acid, 3-Chloro-5-isoxazoleaceticacid, 3-chloro-5-isoxazolacetic acid, 3-Chloroisoxazole-5-acetic acid, 2-(3-Chloroisoxazol-5-yl)acetic acid
| Molecular Formula | C5H4ClNO3 |
|---|---|
| Molecular Weight | 160.99 g/mol |
| LogP | 0.9551 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.98798 |
| Heavy Atoms | 10 |
| Complexity | 244.79604 |
Chemical Identifiers
| CAS Number | 54489-25-7 |
|---|---|
| SMILES | C1=C(ON=C1Cl)CC(=O)O |
Product Overview
3-Chloro-5-isoxazoleacetic acid (CAS 54489-25-7), with molecular formula C5H4ClNO3 and molecular weight 160.99 g/mol. IUPAC: 2-(3-chloro-1,2-oxazol-5-yl)acetic acid.
Chemical Property Profile of 3-Chloro-5-isoxazoleacetic acid
Property Insights of 3-Chloro-5-isoxazoleacetic acid
The XLogP value of 0.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-isoxazoleacetic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-5-isoxazoleacetic acid. Following Lipinski's Rule of Five, 3-Chloro-5-isoxazoleacetic acid has 1 hydrogen bond donor(s) and 3 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-Chloro-5-isoxazoleacetic acid?
The CAS number of 3-Chloro-5-isoxazoleacetic acid is 54489-25-7.
What is the molecular formula of 3-Chloro-5-isoxazoleacetic acid?
The molecular formula of 3-Chloro-5-isoxazoleacetic acid is C5H4ClNO3.
What is the molecular weight of 3-Chloro-5-isoxazoleacetic acid?
The molecular weight of 3-Chloro-5-isoxazoleacetic acid is 160.99 g/mol.
Where can I buy 3-Chloro-5-isoxazoleacetic acid?
You can request a quote for 3-Chloro-5-isoxazoleacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-isoxazoleacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-isoxazoleacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.