![Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate structure](/static/products/959/959264-29-0.png)
Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate
TL;DR: Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate (CAS 959264-29-0) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate, ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate, Ethyl 4-((6-methoxy-1H-benzo[d]imidazol-2-yl)thio)-3-oxobutanoate, Butanoic acid, 4-(5-methoxybenzimidazol-2-ylthio)-3-oxo-, ethyl ester, butanoic acid, 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxo-, ethyl ester
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 959264-29-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC2=C(N1)C=C(C=C2)OC |
| InChIKey | IMNNKYOAVIRAPZ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate (CAS 959264-29-0), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate
Property Insights of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate has 1 hydrogen bond donor(s) and 6 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 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate?
The CAS number of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate is 959264-29-0.
What is the molecular formula of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate?
The molecular formula of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate is C14H16N2O4S.
What is the molecular weight of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate?
The molecular weight of Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate is 308.08 g/mol.
Where can I buy Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate?
You can request a quote for Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.