![5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- structure](/static/products/1797/17975-47-2.webp)
5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-
TL;DR: 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- (CAS 17975-47-2) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
Also Known As: 4-(4-chlorobenzylidene)-3-methylisoxazol-5(4h)-one, 4-[(4-chlorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one, 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-, 4-[(4-Chlorophenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 17975-47-2 |
|---|---|
| SMILES | CC1=NOC(=O)C1=CC2=CC=C(C=C2)Cl |
| InChIKey | XKTCNDWKBSLGGV-UHFFFAOYSA-N |
Product Overview
5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- (CAS 17975-47-2), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 4-[(4-chlorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one.
Chemical Property Profile of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-
Property Insights of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- 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 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-?
The CAS number of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- is 17975-47-2.
What is the molecular formula of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-?
The molecular formula of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- is C11H8ClNO2.
What is the molecular weight of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-?
The molecular weight of 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- is 221.02 g/mol.
Where can I buy 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-?
You can request a quote for 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.