5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one
TL;DR: 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one (CAS 40994-90-9) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-5-methyl-2-(N-phenylanilino)-1,3-thiazol-4-one
Also Known As: 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one, 5-Acetyl-5-methyl-2-phenyl-2-thiazolin-4-on, 5-acetyl-2-(diphenylamino)-5-methyl-1,3-thiazol-4(5h)-one, 5-acetyl-5-methyl-2-(N-phenylanilino)-1,3-thiazol-4-one, 4(5H)-Thiazolone,5-acetyl-2-(diphenylamino)-5-methyl-
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 40994-90-9 |
|---|---|
| SMILES | CC(=O)C1(C(=O)N=C(S1)N(C2=CC=CC=C2)C3=CC=CC=C3)C |
| InChIKey | HABUFTVZGXMKSZ-UHFFFAOYSA-N |
Product Overview
5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one (CAS 40994-90-9), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 5-acetyl-5-methyl-2-(N-phenylanilino)-1,3-thiazol-4-one.
Chemical Property Profile of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one
Property Insights of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one
The XLogP value of 3.6 indicates that 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one. Following Lipinski's Rule of Five, 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-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 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one?
The CAS number of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one is 40994-90-9.
What is the molecular formula of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one?
The molecular formula of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one is C18H16N2O2S.
What is the molecular weight of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one?
The molecular weight of 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one is 324.09 g/mol.
Where can I buy 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one?
You can request a quote for 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-(diphenylamino)-5-methylthiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.