2-(allylthio)-5-methoxy-1H-benzimidazole
TL;DR: 2-(allylthio)-5-methoxy-1H-benzimidazole (CAS 5549-72-4) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-prop-2-enylsulfanyl-1H-benzimidazole
Also Known As: 2-(allylthio)-5-methoxy-1H-benzimidazole, 6-methoxy-2-prop-2-enylsulfanyl-1H-benzimidazole, AB00088571-01, 6-Methoxy-2-[(prop-2-en-1-yl)sulfanyl]-1H-1,3-benzimidazole
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.8496 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 478.3927 |
Chemical Identifiers
| CAS Number | 5549-72-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(N2)SCC=C |
Product Overview
2-(allylthio)-5-methoxy-1H-benzimidazole (CAS 5549-72-4), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 6-methoxy-2-prop-2-enylsulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-(allylthio)-5-methoxy-1H-benzimidazole
Property Insights of 2-(allylthio)-5-methoxy-1H-benzimidazole
The XLogP value of 2.8496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(allylthio)-5-methoxy-1H-benzimidazole. With a topological polar surface area (TPSA) of 37.91 Ų, 2-(allylthio)-5-methoxy-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(allylthio)-5-methoxy-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 2-(allylthio)-5-methoxy-1H-benzimidazole?
The CAS number of 2-(allylthio)-5-methoxy-1H-benzimidazole is 5549-72-4.
What is the molecular formula of 2-(allylthio)-5-methoxy-1H-benzimidazole?
The molecular formula of 2-(allylthio)-5-methoxy-1H-benzimidazole is C11H12N2OS.
What is the molecular weight of 2-(allylthio)-5-methoxy-1H-benzimidazole?
The molecular weight of 2-(allylthio)-5-methoxy-1H-benzimidazole is 220.07 g/mol.
Where can I buy 2-(allylthio)-5-methoxy-1H-benzimidazole?
You can request a quote for 2-(allylthio)-5-methoxy-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-(allylthio)-5-methoxy-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylthio)-5-methoxy-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.