2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one
TL;DR: 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one (CAS 330440-51-2) is a chemical compound with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(3-chlorophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
Also Known As: BAS 00416769, 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one, (4Z)-2-(3-chlorophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one, 2-(3-Chloro-phenyl)-4-(2,5-dimethyl-benzylidene)-4H-oxazol-5-one
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.30134 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 821.5869 |
Chemical Identifiers
| CAS Number | 330440-51-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)Cl |
Product Overview
2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one (CAS 330440-51-2), with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol. IUPAC: (4Z)-2-(3-chlorophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one
Property Insights of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one
The XLogP value of 4.30134 indicates that 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-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 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one?
The CAS number of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one is 330440-51-2.
What is the molecular formula of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one?
The molecular formula of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one is C18H14ClNO2.
What is the molecular weight of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one?
The molecular weight of 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one is 311.07 g/mol.
Where can I buy 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one?
You can request a quote for 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-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 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chlorophenyl)-4-(2,5-dimethylbenzylidene)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.