2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether
TL;DR: 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether (CAS 331971-12-1) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-6-ethoxy-1H-benzimidazole
Also Known As: 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether, 2-butylsulfanyl-6-ethoxy-1H-benzimidazole, BAS 00717517, 2-Butylsulfanyl-5-ethoxy-1H-benzoimidazole, 2-(butylsulfanyl)-5-ethoxy-1H-benzimidazole
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.8538 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 481.22424 |
Chemical Identifiers
| CAS Number | 331971-12-1 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1)C=C(C=C2)OCC |
Product Overview
2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether (CAS 331971-12-1), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 2-butylsulfanyl-6-ethoxy-1H-benzimidazole.
Chemical Property Profile of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether
Property Insights of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether
The XLogP value of 3.8538 indicates that 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether 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 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether?
The CAS number of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether is 331971-12-1.
What is the molecular formula of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether?
The molecular formula of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether is C13H18N2OS.
What is the molecular weight of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether?
The molecular weight of 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether is 250.11 g/mol.
Where can I buy 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether?
You can request a quote for 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylsulfanyl)-1H-benzimidazol-5-yl ethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.