1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole
TL;DR: 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole (CAS 1791-73-7) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-benzyl-5-(3-chlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Also Known As: KST-1B1103, 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole, {1-benzyl-5-[(3-chlorophenyl)sulfanyl]-4-(1-methylethyl)-1h-imidazol-2-yl}methyl carbamate, [1-benzyl-5-(3-chlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methyl carbamate, [1-benzyl-5-(3-chlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 1791-73-7 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=CC=C2)SC3=CC(=CC=C3)Cl |
| InChIKey | AXNZKIMAKCZTHM-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-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole (CAS 1791-73-7), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: [1-benzyl-5-(3-chlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate.
Chemical Property Profile of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole
Property Insights of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole
The XLogP value of 5.0 indicates that 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole. Following Lipinski's Rule of Five, 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole has 1 hydrogen bond donor(s) and 4 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-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole?
The CAS number of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole is 1791-73-7.
What is the molecular formula of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole?
The molecular formula of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole is C21H22ClN3O2S.
What is the molecular weight of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole?
The molecular weight of 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole is 415.11 g/mol.
Where can I buy 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole?
You can request a quote for 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-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-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-carbamoyloxymethyl-5-(3-chlorophenylthio)-4-isopropyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.