(4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
TL;DR: (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851808-71-4) is a chemical compound with molecular formula C17H14BrN3O3S and molecular weight 418.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, (4-bromophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone, F0630-1879, 1-(4-bromobenzoyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
| Molecular Formula | C17H14BrN3O3S |
|---|---|
| Molecular Weight | 418.99 g/mol |
| LogP | 4.1025 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.99393 |
| Heavy Atoms | 25 |
| Complexity | 839.2866 |
Chemical Identifiers
| CAS Number | 851808-71-4 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br |
Product Overview
(4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851808-71-4), with molecular formula C17H14BrN3O3S and molecular weight 418.99 g/mol. IUPAC: (4-bromophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
Property Insights of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
The XLogP value of 4.1025 indicates that (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone. Following Lipinski's Rule of Five, (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)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 (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The CAS number of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 851808-71-4.
What is the molecular formula of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular formula of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is C17H14BrN3O3S.
What is the molecular weight of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular weight of (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 418.99 g/mol.
Where can I buy (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
You can request a quote for (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-bromophenyl)(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.