5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline
TL;DR: 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline (CAS 57591-76-1) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-imino-4-methyl-3-phenyl-1,3-thiazol-5-yl)ethanone
Also Known As: 1-(2-imino-4-methyl-3-phenyl-1,3-thiazol-5-yl)ethanone, 5-acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline, 5-acetyl-4-methyl-2-imino-3-phenyl-2,3-dihydrothiazole
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.52929 |
| Topological Polar Surface Area | 45.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 580.8114 |
Chemical Identifiers
| CAS Number | 57591-76-1 |
|---|---|
| SMILES | CC1=C(SC(=N)N1C2=CC=CC=C2)C(=O)C |
Product Overview
5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline (CAS 57591-76-1), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 1-(2-imino-4-methyl-3-phenyl-1,3-thiazol-5-yl)ethanone.
Chemical Property Profile of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline
Property Insights of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline
The XLogP value of 2.52929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline. With a topological polar surface area (TPSA) of 45.85 Ų, 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline has 1 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-imino-4-methyl-3-phenyl-1,3-thiazoline?
The CAS number of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline is 57591-76-1.
What is the molecular formula of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline?
The molecular formula of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline is C12H12N2OS.
What is the molecular weight of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline?
The molecular weight of 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline is 232.07 g/mol.
Where can I buy 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline?
You can request a quote for 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline 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-imino-4-methyl-3-phenyl-1,3-thiazoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-imino-4-methyl-3-phenyl-1,3-thiazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.