4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one
TL;DR: 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one (CAS 137918-83-3) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1H-benzimidazol-2-ylsulfanyl(phenyl)methyl]-2-methyl-4H-1,3-oxazol-5-one
Also Known As: 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one, 4-(1H-benzoimidazol-2-ylsulfanyl-phenyl-methyl)-2-methyl-4H-1,3-oxazol-5-one, 4-[1H-benzimidazol-2-ylsulfanyl(phenyl)methyl]-2-methyl-4H-1,3-oxazol-5-one, 4-{[(1H-1,3-Benzimidazol-2-yl)sulfanyl](phenyl)methyl}-2-methyl-1,3-oxazol-5(4H)-one, 4-{[(1H-Benzimidazol-2-yl)sulfanyl](phenyl)methyl}-2-methyl-1,3-oxazol-5(4H)-one
| Molecular Formula | C18H15N3O2S |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0885 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 137918-83-3 |
|---|---|
| SMILES | CC1=NC(C(=O)O1)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3 |
| InChIKey | FQNIEXKAIBORSW-UHFFFAOYSA-N |
Product Overview
4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one (CAS 137918-83-3), with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol. IUPAC: 4-[1H-benzimidazol-2-ylsulfanyl(phenyl)methyl]-2-methyl-4H-1,3-oxazol-5-one.
Chemical Property Profile of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one
Property Insights of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one
The XLogP value of 3.4 indicates that 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one. Following Lipinski's Rule of Five, 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one 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 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one?
The CAS number of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one is 137918-83-3.
What is the molecular formula of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one?
The molecular formula of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one is C18H15N3O2S.
What is the molecular weight of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one?
The molecular weight of 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one is 337.09 g/mol.
Where can I buy 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one?
You can request a quote for 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-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(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Benzimidazol-2-ylsulfanyl(phenyl)methyl)-2-methyl-4H-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.