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2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
TL;DR: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole (CAS 449813-22-3) is a chemical compound with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Also Known As: 2-{[(3-CHLOROPHENYL)METHYL]SULFANYL}-5-METHYL-1H-1,3-BENZODIAZOLE, 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole, 2-[(3-chlorophenyl)methylthio]-5-methylbenzimidazole, 2-[(3-Chlorophenyl)methylthio]-6-methylbenzimidazole, 2-((3-chlorobenzyl)thio)-5-methyl-1H-benzo[d]imidazole
| Molecular Formula | C15H13ClN2S |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0488 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 449813-22-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC=C3)Cl |
| InChIKey | JVXBBULPPLINSU-UHFFFAOYSA-N |
Product Overview
2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole (CAS 449813-22-3), with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole.
Chemical Property Profile of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Property Insights of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
The XLogP value of 4.8 indicates that 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-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-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-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-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole?
The CAS number of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole is 449813-22-3.
What is the molecular formula of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole?
The molecular formula of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole is C15H13ClN2S.
What is the molecular weight of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole?
The molecular weight of 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole is 288.05 g/mol.
Where can I buy 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole?
You can request a quote for 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-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-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.