(3aR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Name: (3aR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
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CAS No. 1318074-27-9
Cat. No. CS-0943907
Purity≥97%
MDL No.None

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(3aR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione|CS-0943907

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General Information

CAS No. 1318074-27-9
Cat. No. CS-0943907
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₈H₃₆N₄O₂S
Molecular Weight 492.68
Synonym(s) None
SMILES O=C1[C@]2([C@]([C@@]3(C[C@]2(CC3)[H])[H])(C(=O)N1C[C@@H]4[C@@H](CN5CCN(CC5)C=6C=7C(SN6)=CC=CC7)CCCC4)[H])[H]

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 56.75
LogP 4.2558
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisothiazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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(3aR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

CAS No. 1318074-27-9

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