N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide
TL;DR: N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide (CAS 896351-16-9) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbenzamide
Also Known As: N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide, N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbenzamide, N-(5-methyl-1,2-oxazol-3-yl)-2-(methylsulfanyl)benzamide, F2553-0226
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.95722 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 536.8068 |
Chemical Identifiers
| CAS Number | 896351-16-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC=CC=C2SC |
Product Overview
N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide (CAS 896351-16-9), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbenzamide.
Chemical Property Profile of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide
Property Insights of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide
The XLogP value of 2.95722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide has 1 hydrogen bond donor(s) and 4 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 N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide?
The CAS number of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide is 896351-16-9.
What is the molecular formula of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide?
The molecular formula of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide is C12H12N2O2S.
What is the molecular weight of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide?
The molecular weight of N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide is 248.06 g/mol.
Where can I buy N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide?
You can request a quote for N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methylisoxazol-3-yl)-2-(methylthio)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.