3-Hydroxy-5-isoxazolylmethyl chloride
TL;DR: 3-Hydroxy-5-isoxazolylmethyl chloride (CAS 2682-41-9) is a chemical compound with molecular formula C4H4ClNO2 and molecular weight 132.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-1,2-oxazol-3-one
Also Known As: 3-hydroxy-5-isoxazolylmethyl chloride, 5-(chloromethyl)-1,2-oxazol-3-one, 5-(chloromethyl)-1,2-oxazol-3-ol, 5-(chloromethyl)-3-isoxazolol, 5-chloromethyl-3-hydroxyisoxazole
| Molecular Formula | C4H4ClNO2 |
|---|---|
| Molecular Weight | 132.99 g/mol |
| LogP | 0.7067 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.99306 |
| Heavy Atoms | 8 |
| Complexity | 213.81293 |
Chemical Identifiers
| CAS Number | 2682-41-9 |
|---|---|
| SMILES | C1=C(ONC1=O)CCl |
Product Overview
3-Hydroxy-5-isoxazolylmethyl chloride (CAS 2682-41-9), with molecular formula C4H4ClNO2 and molecular weight 132.99 g/mol. IUPAC: 5-(chloromethyl)-1,2-oxazol-3-one.
Chemical Property Profile of 3-Hydroxy-5-isoxazolylmethyl chloride
Property Insights of 3-Hydroxy-5-isoxazolylmethyl chloride
The XLogP value of 0.7067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5-isoxazolylmethyl chloride. With a topological polar surface area (TPSA) of 46.0 Ų, 3-Hydroxy-5-isoxazolylmethyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-5-isoxazolylmethyl chloride has 1 hydrogen bond donor(s) and 2 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-Hydroxy-5-isoxazolylmethyl chloride?
The CAS number of 3-Hydroxy-5-isoxazolylmethyl chloride is 2682-41-9.
What is the molecular formula of 3-Hydroxy-5-isoxazolylmethyl chloride?
The molecular formula of 3-Hydroxy-5-isoxazolylmethyl chloride is C4H4ClNO2.
What is the molecular weight of 3-Hydroxy-5-isoxazolylmethyl chloride?
The molecular weight of 3-Hydroxy-5-isoxazolylmethyl chloride is 132.99 g/mol.
Where can I buy 3-Hydroxy-5-isoxazolylmethyl chloride?
You can request a quote for 3-Hydroxy-5-isoxazolylmethyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-isoxazolylmethyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-isoxazolylmethyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.