1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone
TL;DR: 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone (CAS 157634-77-0) is a chemical compound with molecular formula C15H10ClN3O3S and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone
Also Known As: SDCCGSBI-0660575.P001, BAS 01318967, AB00560225-02, F0212-0047, 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone
| Molecular Formula | C15H10ClN3O3S |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.01315 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 157634-77-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | QIKYAJPWGQFDHC-UHFFFAOYSA-N |
Product Overview
1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone (CAS 157634-77-0), with molecular formula C15H10ClN3O3S and molecular weight 347.01 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone
Property Insights of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone
The XLogP value of 4.2 indicates that 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone. Following Lipinski's Rule of Five, 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone has 1 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 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone?
The CAS number of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone is 157634-77-0.
What is the molecular formula of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone?
The molecular formula of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone is C15H10ClN3O3S.
What is the molecular weight of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone?
The molecular weight of 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone is 347.01 g/mol.
Where can I buy 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone?
You can request a quote for 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.