2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide
TL;DR: 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide (CAS 299198-79-1) is a chemical compound with molecular formula C15H11FN4O3S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
Also Known As: 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide, BAS 00435890, 2-((1H-Benzo[d]imidazol-2-yl)thio)-N-(4-fluoro-3-nitrophenyl)acetamide, J1.779.733F, 2-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)-N-(4-FLUORO-3-NITROPHENYL)ACETAMIDE
| Molecular Formula | C15H11FN4O3S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0536 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 299198-79-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
| InChIKey | FPLAUQPIWAEVOZ-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide (CAS 299198-79-1), with molecular formula C15H11FN4O3S and molecular weight 346.05 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)acetamide.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide
Property Insights of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide
The XLogP value of 3.2 indicates that 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide has 2 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 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide?
The CAS number of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide is 299198-79-1.
What is the molecular formula of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide?
The molecular formula of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide is C15H11FN4O3S.
What is the molecular weight of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide?
The molecular weight of 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide is 346.05 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide?
You can request a quote for 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.