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4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
TL;DR: 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one (CAS 51619-79-5) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazol-5-one
Also Known As: 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one, KST-1A5221, dimethylaminomethylenephenyloxazolone, 4-((Dimethylamino)methylene)-2-phenyloxazol-5(4H)-one, 4625AE
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 51619-79-5 |
|---|---|
| SMILES | CN(C)/C=C/1\C(=O)OC(=N1)C2=CC=CC=C2 |
| InChIKey | GZJKBFRZBMYLAV-CSKARUKUSA-N |
Product Overview
4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one (CAS 51619-79-5), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
Property Insights of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 41.9 Ų, 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(dimethylamino)methylene]-2-phenyl-1,3-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 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
The CAS number of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one is 51619-79-5.
What is the molecular formula of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
The molecular formula of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one is C12H12N2O2.
What is the molecular weight of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
The molecular weight of 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one is 216.09 g/mol.
Where can I buy 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
You can request a quote for 4-[(dimethylamino)methylene]-2-phenyl-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 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.