(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
TL;DR: (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone (CAS 851803-03-7) is a chemical compound with molecular formula C21H21ClFN3O3S2 and molecular weight 481.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
Also Known As: (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone, F0630-0911, [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[4-(pyrrolidine-1-sulfonyl)benzoyl]-4,5-dihydro-1H-imidazole
| Molecular Formula | C21H21ClFN3O3S2 |
|---|---|
| Molecular Weight | 481.07 g/mol |
| LogP | 4.0088 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.0697 |
| Heavy Atoms | 31 |
| Complexity | 1096.94 |
Chemical Identifiers
| CAS Number | 851803-03-7 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=C(C=CC=C4Cl)F |
Product Overview
(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone (CAS 851803-03-7), with molecular formula C21H21ClFN3O3S2 and molecular weight 481.07 g/mol. IUPAC: [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
Chemical Property Profile of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
Property Insights of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
The XLogP value of 4.0088 indicates that (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone. Following Lipinski's Rule of Five, (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone 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 (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone?
The CAS number of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone is 851803-03-7.
What is the molecular formula of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone?
The molecular formula of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone is C21H21ClFN3O3S2.
What is the molecular weight of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone?
The molecular weight of (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone is 481.07 g/mol.
Where can I buy (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone?
You can request a quote for (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.