2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole
TL;DR: 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole (CAS 511304-75-9) is a chemical compound with molecular formula C15H14N2OS and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-methoxy-1H-benzimidazole
Also Known As: 5-methoxy-2-benzylthio-benzimidazole, 2-benzylsulfanyl-6-methoxy-1H-benzimidazole, 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole, 2-(BENZYLSULFANYL)-5-METHOXY-1H-1,3-BENZODIAZOLE
| Molecular Formula | C15H14N2OS |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 3.8638 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.08267 |
| Heavy Atoms | 19 |
| Complexity | 678.9332 |
Chemical Identifiers
| CAS Number | 511304-75-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3 |
Product Overview
2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole (CAS 511304-75-9), with molecular formula C15H14N2OS and molecular weight 270.08 g/mol. IUPAC: 2-benzylsulfanyl-6-methoxy-1H-benzimidazole.
Chemical Property Profile of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole
Property Insights of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole
The XLogP value of 3.8638 indicates that 2-(benzylsulfanyl)-6-methoxy-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-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-6-methoxy-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-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole?
The CAS number of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole is 511304-75-9.
What is the molecular formula of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole?
The molecular formula of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole is C15H14N2OS.
What is the molecular weight of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole?
The molecular weight of 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole is 270.08 g/mol.
Where can I buy 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole?
You can request a quote for 2-(benzylsulfanyl)-6-methoxy-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-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.