1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
TL;DR: 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone (CAS 851808-40-7) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
Also Known As: 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone, F0630-1841, 1-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one, 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.0461 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 544.77606 |
Chemical Identifiers
| CAS Number | 851808-40-7 |
|---|---|
| SMILES | CC(=O)N1CCN=C1SCC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone (CAS 851808-40-7), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
Chemical Property Profile of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
Property Insights of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
The XLogP value of 2.0461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone 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 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The CAS number of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is 851808-40-7.
What is the molecular formula of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The molecular formula of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is C12H13N3O3S.
What is the molecular weight of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The molecular weight of 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is 279.07 g/mol.
Where can I buy 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
You can request a quote for 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.