2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
TL;DR: 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- (CAS 61076-82-2) is a chemical compound with molecular formula C12H13FN2OS and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
Also Known As: Imidazolidine, 3-acetyl-2-(p-fluorobenzylthio)-, 3-Acetyl-2-((p-fluorobenzyl)thio)-2-imidazoline, 2-IMIDAZOLINE, 1-ACETYL-2-((p-FLUOROBENZYL)THIO)-, 5-23-10-00433 (Beilstein Handbook Reference), 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
| Molecular Formula | C12H13FN2OS |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07326 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 61076-82-2 |
|---|---|
| SMILES | CC(=O)N1CCN=C1SCC2=CC=C(C=C2)F |
| InChIKey | LADXNUMEZZVNNG-UHFFFAOYSA-N |
Product Overview
2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- (CAS 61076-82-2), with molecular formula C12H13FN2OS and molecular weight 252.07 g/mol. IUPAC: 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
Chemical Property Profile of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
Property Insights of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-. With a topological polar surface area (TPSA) of 58.0 Ų, 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- 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-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-?
The CAS number of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- is 61076-82-2.
What is the molecular formula of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-?
The molecular formula of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- is C12H13FN2OS.
What is the molecular weight of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-?
The molecular weight of 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- is 252.07 g/mol.
Where can I buy 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-?
You can request a quote for 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.