![4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide structure](/static/products/4491/449169-33-9.webp)
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
TL;DR: 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide (CAS 449169-33-9) is a chemical compound with molecular formula C20H17N3O5S2 and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
Also Known As: 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide, 4-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonylbenzothiazol-2-yl)butanamide, 4-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide, 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)butanamide
| Molecular Formula | C20H17N3O5S2 |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 2.7147 |
| Topological Polar Surface Area | 113.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.06097 |
| Heavy Atoms | 30 |
| Complexity | 1261.7692 |
Chemical Identifiers
| CAS Number | 449169-33-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide (CAS 449169-33-9), with molecular formula C20H17N3O5S2 and molecular weight 443.06 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
Property Insights of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide
The XLogP value of 2.7147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-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 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-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 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The CAS number of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is 449169-33-9.
What is the molecular formula of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The molecular formula of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is C20H17N3O5S2.
What is the molecular weight of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
The molecular weight of 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide is 443.06 g/mol.
Where can I buy 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
You can request a quote for 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-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 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.