2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide
TL;DR: 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide (CAS 311329-80-3) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: BAS 02104741, BIM-0008314.P001, AB00104044-01, 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide, A1318/0059783
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 311329-80-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3N2 |
| InChIKey | ALVRSIIVBMUCBC-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide (CAS 311329-80-3), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide
Property Insights of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide has 2 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 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide?
The CAS number of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide is 311329-80-3.
What is the molecular formula of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide?
The molecular formula of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide is C13H12N4O2S.
What is the molecular weight of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide?
The molecular weight of 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide is 288.07 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide?
You can request a quote for 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)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-(5-methyl-3-isoxazolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.