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2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole
TL;DR: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole (CAS 537010-50-7) is a chemical compound with molecular formula C17H18N2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 2-((4-isopropylbenzyl)thio)-1H-benzo[d]imidazole, 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole, 2-{[4-(methylethyl)phenyl]methylthio}benzimidazole, 2-{[4-(propan-2-yl)benzyl]sulfanyl}-1H-benzimidazole
| Molecular Formula | C17H18N2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 4.9786 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.11908 |
| Heavy Atoms | 20 |
| Complexity | 665.3417 |
Chemical Identifiers
| CAS Number | 537010-50-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2 |
Product Overview
2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole (CAS 537010-50-7), with molecular formula C17H18N2S and molecular weight 282.12 g/mol. IUPAC: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole
Property Insights of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole
The XLogP value of 4.9786 indicates that 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-propan-2-ylphenyl)methylsulfanyl]-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-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole?
The CAS number of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole is 537010-50-7.
What is the molecular formula of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole?
The molecular formula of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole is C17H18N2S.
What is the molecular weight of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole?
The molecular weight of 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole is 282.12 g/mol.
Where can I buy 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole?
You can request a quote for 2-[(4-propan-2-ylphenyl)methylsulfanyl]-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-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.