4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one
TL;DR: 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one (CAS 137918-84-4) is a chemical compound with molecular formula C23H16N4O4S and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
Also Known As: 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one, 4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one, 4-[1H-benzoimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one, 4-{[(1H-Benzimidazol-2-yl)sulfanyl](4-nitrophenyl)methyl}-2-phenyl-1,3-oxazol-5(4H)-one, 4-{[(1H-1,3-Benzimidazol-2-yl)sulfanyl](4-nitrophenyl)methyl}-2-phenyl-1,3-oxazol-5(4H)-one
| Molecular Formula | C23H16N4O4S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.08923 |
| Heavy Atoms | 32 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 137918-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])SC4=NC5=CC=CC=C5N4 |
| InChIKey | JSPRLVFWFQIIGF-UHFFFAOYSA-N |
Product Overview
4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one (CAS 137918-84-4), with molecular formula C23H16N4O4S and molecular weight 444.09 g/mol. IUPAC: 4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one.
Chemical Property Profile of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one
Property Insights of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one
The XLogP value of 4.9 indicates that 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one. Following Lipinski's Rule of Five, 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one has 1 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 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one?
The CAS number of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one is 137918-84-4.
What is the molecular formula of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one?
The molecular formula of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one is C23H16N4O4S.
What is the molecular weight of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one?
The molecular weight of 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one is 444.09 g/mol.
Where can I buy 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one?
You can request a quote for 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl)-2-phenyl-4H-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.