3-(4-Chlorophenyl)-1,2-oxazol-5-ol
TL;DR: 3-(4-Chlorophenyl)-1,2-oxazol-5-ol (CAS 467253-22-1) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2H-1,2-oxazol-5-one
Also Known As: 3-(4-Chlorophenyl)-1,2-oxazol-5-ol, 3-(4-Chlorophenyl)-5-hydroxyisoxazole, 3-(4-Chlorophenyl)isoxazol-5-ol, 3-(4-chlorophenyl)isoxazol-5(2H)-one, 3-(4-chlorophenyl)-2h-isoxazol-5-one
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.2883 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 454.96698 |
Chemical Identifiers
| CAS Number | 467253-22-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)ON2)Cl |
Product Overview
3-(4-Chlorophenyl)-1,2-oxazol-5-ol (CAS 467253-22-1), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol
Property Insights of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol
The XLogP value of 2.2883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-1,2-oxazol-5-ol. With a topological polar surface area (TPSA) of 46.0 Ų, 3-(4-Chlorophenyl)-1,2-oxazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1,2-oxazol-5-ol 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-(4-Chlorophenyl)-1,2-oxazol-5-ol?
The CAS number of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol is 467253-22-1.
What is the molecular formula of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol?
The molecular formula of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol is C9H6ClNO2.
What is the molecular weight of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol?
The molecular weight of 3-(4-Chlorophenyl)-1,2-oxazol-5-ol is 195.01 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1,2-oxazol-5-ol?
You can request a quote for 3-(4-Chlorophenyl)-1,2-oxazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-1,2-oxazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1,2-oxazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.