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Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate (CAS 433260-63-0) is a chemical compound with molecular formula C18H15N3O5S and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate
Also Known As: ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate, ethyl ({1-[(2-nitrophenyl)carbonyl]-1H-benzimidazol-2-yl}sulfanyl)acetate, ethyl 2-((1-(2-nitrobenzoyl)-1H-benzo[d]imidazol-2-yl)thio)acetate, ETHYL 2-{[1-(2-NITROBENZOYL)-1H-1,3-BENZODIAZOL-2-YL]SULFANYL}ACETATE
| Molecular Formula | C18H15N3O5S |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 3.2882 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.07324 |
| Heavy Atoms | 27 |
| Complexity | 1030.7639 |
Chemical Identifiers
| CAS Number | 433260-63-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate (CAS 433260-63-0), with molecular formula C18H15N3O5S and molecular weight 385.07 g/mol. IUPAC: ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate
The XLogP value of 3.2882 indicates that Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 7 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 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate is 433260-63-0.
What is the molecular formula of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate is C18H15N3O5S.
What is the molecular weight of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate is 385.07 g/mol.
Where can I buy Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1-(2-nitrobenzoyl)benzimidazol-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.