2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide

Name: 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide
Brand: 科弘生物
SKU: CAS:958986-53-3
Price: Contact for quote USD

TL;DR: 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide (CAS 958986-53-3) is a chemical compound with molecular formula C25H22ClN5O4S and molecular weight 523.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-[(3aR,6aS)-7'-chloro-5-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

Also Known As: 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide, 2-[(3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide

CAS: 958986-53-3

Molecular Formula	`C25H22ClN5O4S`
Molecular Weight	523.11 g/mol
LogP	2.2608
Topological Polar Surface Area	145.39 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	523.1081
Heavy Atoms	36
Complexity	1444.7502

Chemical Identifiers

CAS Number	958986-53-3
SMILES	`CC1=CC2=C(C(=C1)Cl)NC(=O)C23[C@H]4[C@@H](C(N3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N`

Product Overview

2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide (CAS 958986-53-3), with molecular formula C25H22ClN5O4S and molecular weight 523.11 g/mol. IUPAC: 2-[(3aR,6aS)-7'-chloro-5-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Chemical Property Profile of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide

XLogP

2.2608

TPSA (Topological Polar Surface Area)

145.39

Hydrogen Bond Donors

Hydrogen Bond Acceptors

Rotatable Bonds

Heavy Atoms

Complexity

1444.7502

Exact Mass

523.1081

Monoisotopic Mass

523.1081

Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide

The XLogP value of 2.2608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide. The TPSA of 145.39 Å² indicates high polarity, suggesting 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?

The CAS number of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide is 958986-53-3.

What is the molecular formula of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?

The molecular formula of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide is C25H22ClN5O4S.

What is the molecular weight of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?

The molecular weight of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide is 523.11 g/mol.

Where can I buy 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?

You can request a quote for 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-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-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?

Yes, KEHONG BIO provides custom synthesis services for 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide

Chemical Identifiers

Product Overview

Chemical Property Profile of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide

Property Insights of 2-((3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide

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Frequently Asked Questions

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