![3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide structure](/static/products/349/349540-64-3.png)
3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
TL;DR: 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide (CAS 349540-64-3) is a chemical compound with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
Also Known As: BAS 03034357, 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide, 3-methyl-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)butanamide, 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide, N-(6-METHANESULFONYL-1,3-BENZOTHIAZOL-2-YL)-3-METHYLBUTANAMIDE
| Molecular Formula | C13H16N2O3S2 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.06024 |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 349540-64-3 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C |
| InChIKey | XPUZTISBOPKWFN-UHFFFAOYSA-N |
Product Overview
3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide (CAS 349540-64-3), with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol. IUPAC: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
Property Insights of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide 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 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The CAS number of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is 349540-64-3.
What is the molecular formula of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The molecular formula of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is C13H16N2O3S2.
What is the molecular weight of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The molecular weight of 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is 312.06 g/mol.
Where can I buy 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
You can request a quote for 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.