(4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one
TL;DR: (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one (CAS 313401-99-9) is a chemical compound with molecular formula C12H11FN2O2 and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one
Also Known As: BIM-0010102.P001, (Z)-4-((dimethylamino)methylene)-2-(3-fluorophenyl)oxazol-5(4H)-one, (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one, 4-[(dimethylamino)methylene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one, (4Z)-4-[(dimethylamino)methylene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
| Molecular Formula | C12H11FN2O2 |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.08046 |
| Heavy Atoms | 17 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 313401-99-9 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=O)OC(=N1)C2=CC(=CC=C2)F |
| InChIKey | CKPKKEKYQPUTKM-YFHOEESVSA-N |
Product Overview
(4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one (CAS 313401-99-9), with molecular formula C12H11FN2O2 and molecular weight 234.08 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one
Property Insights of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one. With a topological polar surface area (TPSA) of 41.9 Ų, (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one has 0 hydrogen bond donor(s) and 5 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 (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one?
The CAS number of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one is 313401-99-9.
What is the molecular formula of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one?
The molecular formula of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one is C12H11FN2O2.
What is the molecular weight of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one?
The molecular weight of (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one is 234.08 g/mol.
Where can I buy (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one?
You can request a quote for (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-4-(dimethylaminomethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.