1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole
TL;DR: 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole (CAS 17917-57-6) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-benzyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Also Known As: carpavirine, KST-1B1104, 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole, [1-benzyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate, {1-benzyl-4-(1-methylethyl)-5-[(3-nitrophenyl)sulfanyl]-1h-imidazol-2-yl}methyl carbamate
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 17917-57-6 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-] |
| InChIKey | ZZNIXWBTYQDWND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole (CAS 17917-57-6), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: [1-benzyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate.
Chemical Property Profile of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole
Property Insights of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole
The XLogP value of 4.2 indicates that 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole has 1 hydrogen bond donor(s) and 6 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-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole?
The CAS number of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole is 17917-57-6.
What is the molecular formula of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole?
The molecular formula of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole is C21H22N4O4S.
What is the molecular weight of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole?
The molecular weight of 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole is 426.14 g/mol.
Where can I buy 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole?
You can request a quote for 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-carbamoyloxymethyl-4-isopropyl-5-(3-nitophenylthio)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.