![2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide structure](/static/products/5616/5616-35-3.webp)
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
TL;DR: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide (CAS 5616-35-3) is a chemical compound with molecular formula C19H16N4O7S2 and molecular weight 476.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
Also Known As: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide, 2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
| Molecular Formula | C19H16N4O7S2 |
|---|---|
| Molecular Weight | 476.05 g/mol |
| LogP | 1.7738 |
| Topological Polar Surface Area | 156.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.04605 |
| Heavy Atoms | 32 |
| Complexity | 1224.7188 |
Chemical Identifiers
| CAS Number | 5616-35-3 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide (CAS 5616-35-3), with molecular formula C19H16N4O7S2 and molecular weight 476.05 g/mol. IUPAC: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
Property Insights of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
The XLogP value of 1.7738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide. The TPSA of 156.65 Ų indicates high polarity, suggesting 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide has 1 hydrogen bond donor(s) and 9 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-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The CAS number of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide is 5616-35-3.
What is the molecular formula of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The molecular formula of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide is C19H16N4O7S2.
What is the molecular weight of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The molecular weight of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide is 476.05 g/mol.
Where can I buy 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
You can request a quote for 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide 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-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.