2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one
TL;DR: 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one (CAS 373618-95-2) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
Also Known As: 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.0464 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 520.9918 |
Chemical Identifiers
| CAS Number | 373618-95-2 |
|---|---|
| SMILES | CN(C)/C=C/1\C(=O)OC(=N1)C2=CC(=CC=C2)Cl |
Product Overview
2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one (CAS 373618-95-2), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: (4E)-2-(3-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one.
Chemical Property Profile of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one
Property Insights of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one
The XLogP value of 2.0464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 41.9 Ų, 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 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-((dimethylamino)methylene)oxazol-5(4H)-one?
The CAS number of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one is 373618-95-2.
What is the molecular formula of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one?
The molecular formula of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one is C12H11ClN2O2.
What is the molecular weight of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one?
The molecular weight of 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one is 250.05 g/mol.
Where can I buy 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one?
You can request a quote for 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)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-((dimethylamino)methylene)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)-4-((dimethylamino)methylene)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.