5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole
TL;DR: 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole (CAS 537010-56-3) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-2-propan-2-ylsulfanyl-1H-benzimidazole
Also Known As: 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole, 6-ethoxy-2-propan-2-ylsulfanyl-1H-benzimidazole, 6-ethoxy-2-propan-2-ylsulfanyl-1H-benzoimidazole
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.4621 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 478.82355 |
Chemical Identifiers
| CAS Number | 537010-56-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C |
Product Overview
5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole (CAS 537010-56-3), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 6-ethoxy-2-propan-2-ylsulfanyl-1H-benzimidazole.
Chemical Property Profile of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole
Property Insights of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole
The XLogP value of 3.4621 indicates that 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole 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 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole?
The CAS number of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole is 537010-56-3.
What is the molecular formula of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole?
The molecular formula of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole is C12H16N2OS.
What is the molecular weight of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole?
The molecular weight of 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole is 236.10 g/mol.
Where can I buy 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole?
You can request a quote for 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-ethoxy-2-(propan-2-ylsulfanyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.