![4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one structure](/static/products/847/847397-75-5.png)
4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
TL;DR: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one (CAS 847397-75-5) is a chemical compound with molecular formula C25H22FN3OS and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
Also Known As: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one, F0660-2464, 4-(1-(2-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-1-(3-(methylthio)phenyl)pyrrolidin-2-one, 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one, 4-[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
| Molecular Formula | C25H22FN3OS |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 5.4661 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.14676 |
| Heavy Atoms | 31 |
| Complexity | 1268.6095 |
Chemical Identifiers
| CAS Number | 847397-75-5 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5F |
Product Overview
4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one (CAS 847397-75-5), with molecular formula C25H22FN3OS and molecular weight 431.15 g/mol. IUPAC: 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one.
Chemical Property Profile of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
Property Insights of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
The XLogP value of 5.4661 indicates that 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one?
The CAS number of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one is 847397-75-5.
What is the molecular formula of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one?
The molecular formula of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one is C25H22FN3OS.
What is the molecular weight of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one?
The molecular weight of 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one is 431.15 g/mol.
Where can I buy 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one?
You can request a quote for 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.