![2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide structure](/static/products/4491/449169-27-1.webp)
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
TL;DR: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide (CAS 449169-27-1) is a chemical compound with molecular formula C21H19N3O5S2 and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
Also Known As: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide, 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide, 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-methylsulfonylbenzothiazol-2-yl)butanamide
| Molecular Formula | C21H19N3O5S2 |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 2.9591 |
| Topological Polar Surface Area | 113.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0766 |
| Heavy Atoms | 31 |
| Complexity | 1309.0541 |
Chemical Identifiers
| CAS Number | 449169-27-1 |
|---|---|
| SMILES | CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide (CAS 449169-27-1), with molecular formula C21H19N3O5S2 and molecular weight 457.08 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
Property Insights of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
The XLogP value of 2.9591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide. The TPSA of 113.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide 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 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The CAS number of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is 449169-27-1.
What is the molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is C21H19N3O5S2.
What is the molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is 457.08 g/mol.
Where can I buy 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
You can request a quote for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-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 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-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.