2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole
TL;DR: 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole (CAS 17941-92-3) is a chemical compound with molecular formula C15H21N3S and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine
Also Known As: KST-1B1116, 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole, 1-[1-ethyl-4-(1-methylethyl)-5-(phenylsulfanyl)-1h-imidazol-2-yl]methanamine, (1-ethyl-4-isopropyl-5-phenylsulfanyl-imidazol-2-yl)methanamine, (1-ethyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine
| Molecular Formula | C15H21N3S |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.14563 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 17941-92-3 |
|---|---|
| SMILES | CCN1C(=NC(=C1SC2=CC=CC=C2)C(C)C)CN |
| InChIKey | ABWZONWGBDQLIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole (CAS 17941-92-3), with molecular formula C15H21N3S and molecular weight 275.15 g/mol. IUPAC: (1-ethyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine.
Chemical Property Profile of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole
Property Insights of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole. Following Lipinski's Rule of Five, 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole has 1 hydrogen bond donor(s) and 3 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-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole?
The CAS number of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole is 17941-92-3.
What is the molecular formula of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole?
The molecular formula of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole is C15H21N3S.
What is the molecular weight of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole?
The molecular weight of 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole is 275.15 g/mol.
Where can I buy 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole?
You can request a quote for 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.