4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one
TL;DR: 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one (CAS 3237-71-6) 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.
(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Also Known As: 4-(4-Chlorobenzylidene)-2-methyl-5-oxazolone, 3-(p-Chlorphenyl)-chinolin, JoCBPDgXQBSJzrsS[\@DtmDBGH, 2-Oxazolin-5-one,4- -2-methyl-, 4-(4-Chloro-benzylidene)-2-methyl-4H-oxazol-5-one
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.6561 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 459.9812 |
Chemical Identifiers
| CAS Number | 3237-71-6 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)O1 |
Product Overview
4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one (CAS 3237-71-6), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one
Property Insights of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one
The XLogP value of 2.6561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one. With a topological polar surface area (TPSA) of 38.66 Ų, 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-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 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one?
The CAS number of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one is 3237-71-6.
What is the molecular formula of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one?
The molecular formula of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one is C11H8ClNO2.
What is the molecular weight of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one?
The molecular weight of 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one is 221.02 g/mol.
Where can I buy 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one?
You can request a quote for 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorobenzylidene)-2-methyl-2-oxazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.