1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride
TL;DR: 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride (CAS 568577-86-6) is a chemical compound with molecular formula C12H12Cl2N2OS and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride
Also Known As: 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride, 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride, I14-57696, 1-Benzyl-2-(methylthio)-1H-imidazole-5-carbonyl chloride hydrochloride, 1-BENZYL-2- -1H-IMIDAZOLE-5-CARBONYLCHLORIDEHYDROCHLORIDE
| Molecular Formula | C12H12Cl2N2OS |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | 3.4541 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.00473 |
| Heavy Atoms | 18 |
| Complexity | 528.1286 |
Chemical Identifiers
| CAS Number | 568577-86-6 |
|---|---|
| SMILES | CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl |
Product Overview
1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride (CAS 568577-86-6), with molecular formula C12H12Cl2N2OS and molecular weight 302.00 g/mol. IUPAC: 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride.
Chemical Property Profile of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride
Property Insights of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride
The XLogP value of 3.4541 indicates that 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride has 0 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 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride?
The CAS number of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride is 568577-86-6.
What is the molecular formula of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride?
The molecular formula of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride is C12H12Cl2N2OS.
What is the molecular weight of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride?
The molecular weight of 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride is 302.00 g/mol.
Where can I buy 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride?
You can request a quote for 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride 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-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonyl chloride hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.