2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole
TL;DR: 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole (CAS 23976-76-3) is a chemical compound with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: Heptaverine, 2-(4-Chlorobenzylthio)-1H-benzo[d]imidazole, 2-((4-chlorobenzyl)thio)-1H-benzo[d]imidazole, Maybridge1_003573, NCIOpen2_002261
| Molecular Formula | C14H11ClN2S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.03314 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 23976-76-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)Cl |
| InChIKey | JUFYNYOXBHJQOC-UHFFFAOYSA-N |
Product Overview
2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole (CAS 23976-76-3), with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole
Property Insights of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole
The XLogP value of 4.2 indicates that 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole has 1 hydrogen bond donor(s) and 2 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-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole?
The CAS number of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole is 23976-76-3.
What is the molecular formula of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole?
The molecular formula of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole is C14H11ClN2S.
What is the molecular weight of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole?
The molecular weight of 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole is 274.03 g/mol.
Where can I buy 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole?
You can request a quote for 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-Chlorophenyl)methyl)thio)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.