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Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate
TL;DR: Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate (CAS 63204-23-9) is a chemical compound with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate
Also Known As: ethyl[(6-bromo-1h-benzimidazol-2-yl)sulfanyl]acetate, Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate, Ethyl [(6-bromo-1H-1,3-benzimidazol-2-yl)sulfanyl]acetate, ethyl 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate, ETHYL 2-[(5-BROMO-3H-BENZOIMIDAZOL-2-YL)SULFANYL]ACETATE
| Molecular Formula | C11H11BrN2O2S |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.97247 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 63204-23-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1)C=C(C=C2)Br |
| InChIKey | SRMIQGPKTZOKKT-UHFFFAOYSA-N |
Product Overview
Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate (CAS 63204-23-9), with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol. IUPAC: ethyl 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate
Property Insights of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate
The XLogP value of 3.3 indicates that Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 4 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 Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate?
The CAS number of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate is 63204-23-9.
What is the molecular formula of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate?
The molecular formula of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate is C11H11BrN2O2S.
What is the molecular weight of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate?
The molecular weight of Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate is 313.97 g/mol.
Where can I buy Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate?
You can request a quote for Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.