3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one
TL;DR: 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one (CAS 25755-85-5) 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)-4H-1,2-oxazol-5-one
Also Known As: 3-(4-Chlorophenyl)isoxazol-5(4H)-one, 3- -5 -ISOXAZOLONE, 3-p-chlorophenyl-5-isoxazolone, 3-(4-chlorophenyl)-4H-1,2-oxazol-5-one, 3-(4-chlorophenyl)-1,2-oxazol-5(4H)-one
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 25755-85-5 |
|---|---|
| SMILES | C1C(=NOC1=O)C2=CC=C(C=C2)Cl |
| InChIKey | NPFADJVBJNWTOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one (CAS 25755-85-5), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 3-(4-chlorophenyl)-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one
Property Insights of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 38.7 Ų, 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one has 0 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-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one?
The CAS number of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one is 25755-85-5.
What is the molecular formula of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one?
The molecular formula of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one is C9H6ClNO2.
What is the molecular weight of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one?
The molecular weight of 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one is 195.01 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one?
You can request a quote for 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one 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(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.