![2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid structure](/static/products/4813/4813-89-2.webp)
2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid
TL;DR: 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid (CAS 4813-89-2) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Also Known As: (6-Ethoxy-1H-benzoimidazol-2-ylsulfanyl)-acetic acid, 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid, 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid, 2-(5-ethoxybenzimidazol-2-ylthio)acetic acid, [(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 4813-89-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)O |
| InChIKey | PDUCFBXPHICEPX-UHFFFAOYSA-N |
Product Overview
2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid (CAS 4813-89-2), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid
Property Insights of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid has 2 hydrogen bond donor(s) and 5 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-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid?
The CAS number of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid is 4813-89-2.
What is the molecular formula of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid?
The molecular formula of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid is C11H12N2O3S.
What is the molecular weight of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid?
The molecular weight of 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid is 252.06 g/mol.
Where can I buy 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid?
You can request a quote for 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.