2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole
TL;DR: 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole (CAS 1793-91-5) is a chemical compound with molecular formula C14H19N3S and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine
Also Known As: KST-1B1115, 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole, 1-[1-methyl-4-(1-methylethyl)-5-(phenylsulfanyl)-1h-imidazol-2-yl]methanamine, (1-methyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine, (4-isopropyl-1-methyl-5-phenylsulfanyl-imidazol-2-yl)methanamine
| Molecular Formula | C14H19N3S |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.12997 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 1793-91-5 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CN)C)SC2=CC=CC=C2 |
| InChIKey | PDTVLVBEWJRMQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole (CAS 1793-91-5), with molecular formula C14H19N3S and molecular weight 261.13 g/mol. IUPAC: (1-methyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine.
Chemical Property Profile of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole
Property Insights of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole. Following Lipinski's Rule of Five, 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole 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-4-isopropyl-1-methyl-5-phenylthioimidazole?
The CAS number of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole is 1793-91-5.
What is the molecular formula of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole?
The molecular formula of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole is C14H19N3S.
What is the molecular weight of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole?
The molecular weight of 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole is 261.13 g/mol.
Where can I buy 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole?
You can request a quote for 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminomethyl-4-isopropyl-1-methyl-5-phenylthioimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.