![2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole structure](/static/products/874/874639-72-2.png)
2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole
TL;DR: 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole (CAS 874639-72-2) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylphenoxy)butylsulfanyl]-1H-benzimidazole
Also Known As: 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole, 2-[4-(2-methylphenoxy)butylsulfanyl]-1H-benzimidazole, 1-(4-benzimidazol-2-ylthiobutoxy)-2-methylbenzene, 1H-1,3-Benzimidazole, 2-[[4-(2-methylphenoxy)butyl]thio]-, 2-((4-(o-tolyloxy)butyl)thio)-1H-benzo[d]imidazole
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 4.82262 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 705.54016 |
Chemical Identifiers
| CAS Number | 874639-72-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCCCCSC2=NC3=CC=CC=C3N2 |
Product Overview
2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole (CAS 874639-72-2), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: 2-[4-(2-methylphenoxy)butylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole
Property Insights of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole
The XLogP value of 4.82262 indicates that 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole 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-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole 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-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole?
The CAS number of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole is 874639-72-2.
What is the molecular formula of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular formula of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole is C18H20N2OS.
What is the molecular weight of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular weight of 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole is 312.13 g/mol.
Where can I buy 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole?
You can request a quote for 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.