5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole
TL;DR: 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole (CAS 303047-75-8) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-1-methyl-2-prop-2-enylsulfanylbenzimidazole
Also Known As: AE-848/33851013, 5-ethoxy-1-methyl-2-prop-2-enylsulfanylbenzimidazole, 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole, 5-ethoxy-1-methyl-2-prop-2-enylsulfanyl-benzoimidazole, 2-(allylsulfanyl)-1-methyl-1H-benzimidazol-5-yl ethyl ether
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.2501 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 533.44415 |
Chemical Identifiers
| CAS Number | 303047-75-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(=N2)SCC=C)C |
Product Overview
5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole (CAS 303047-75-8), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 5-ethoxy-1-methyl-2-prop-2-enylsulfanylbenzimidazole.
Chemical Property Profile of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole
Property Insights of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole
The XLogP value of 3.2501 indicates that 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole has 0 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-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole?
The CAS number of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole is 303047-75-8.
What is the molecular formula of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole?
The molecular formula of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole is C13H16N2OS.
What is the molecular weight of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole?
The molecular weight of 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole is 248.10 g/mol.
Where can I buy 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole?
You can request a quote for 5-ethoxy-1-methyl-2-(prop-2-en-1-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-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-ethoxy-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.