![1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate structure](/static/products/4256/425662-08-4.webp)
1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
TL;DR: 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate (CAS 425662-08-4) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
Also Known As: 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate, [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate, 1-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1-oxobutan-2-yl 2-(2,3-dioxoindolin-1-yl)acetate, 1-[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROPYL 2-(2,3-DIOXO-2,3-DIHYDRO-1H-INDOL-1-YL)ACETATE, 1-[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROPYL 2-(2,3-DIOXOINDOL-1-YL)ACETATE
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 2.98838 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 1162.8671 |
Chemical Identifiers
| CAS Number | 425662-08-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)CN3C4=CC=CC=C4C(=O)C3=O |
Product Overview
1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate (CAS 425662-08-4), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate.
Chemical Property Profile of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
Property Insights of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
The XLogP value of 2.98838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate. Following Lipinski's Rule of Five, 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate 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 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
The CAS number of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate is 425662-08-4.
What is the molecular formula of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
The molecular formula of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate is C23H21N3O5S.
What is the molecular weight of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
The molecular weight of 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate is 451.12 g/mol.
Where can I buy 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
You can request a quote for 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.