(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone
TL;DR: (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone (CAS 851864-14-7) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-methyl-3-nitrophenyl)methanone
Also Known As: 2-(benzylsulfanyl)-1-(2-methyl-3-nitrobenzoyl)-4,5-dihydro-1H-imidazole, F0630-0235, (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone, (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-methyl-3-nitrophenyl)methanone
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.64842 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 836.71484 |
Chemical Identifiers
| CAS Number | 851864-14-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN=C2SCC3=CC=CC=C3 |
Product Overview
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone (CAS 851864-14-7), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone
Property Insights of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone
The XLogP value of 3.64842 indicates that (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)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 (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)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-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone?
The CAS number of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone is 851864-14-7.
What is the molecular formula of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone?
The molecular formula of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone is C18H17N3O3S.
What is the molecular weight of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone?
The molecular weight of (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone is 355.10 g/mol.
Where can I buy (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone?
You can request a quote for (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2-methyl-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.