CS-1001020
rel-(3aR,4R,7S,7aS)-2-[[(1R,2S)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
Manufacturer: ChemScene
CAS Number: 1318074-20-2
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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
Synonyms
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]
Tpsa
56.75
Logp
4.2558
H Acceptors
6
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1318074-20-2 | (3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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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
Synonyms: 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]
Tpsa: 56.75
Logp: 4.2558
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
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
Synonyms:
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]
Tpsa:
56.75
Logp:
4.2558
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
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
Synonyms: 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]
Tpsa: 56.75
Logp: 4.2558
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
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
Synonyms:
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]
Tpsa:
56.75
Logp:
4.2558
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₁N₃O₆
Molecular Weight: 423.42
Synonyms: None
SMILES: O=C(O)COCCOC1=CC2=NC=NC(NC=3C=CC=C(C#C)C3)=C2C=C1OCCO
Tpsa: 123.03
Logp: 2.2058
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₁N₃O₆
Molecular Weight:
423.42
Synonyms:
None
SMILES:
O=C(O)COCCOC1=CC2=NC=NC(NC=3C=CC=C(C#C)C3)=C2C=C1OCCO
Tpsa:
123.03
Logp:
2.2058
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₃N₃O₅
Molecular Weight: 409.44
Synonyms: None
SMILES: C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOCCO)C(OCCO)=CC32
Tpsa: 105.96
Logp: 2.1135
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₃N₃O₅
Molecular Weight:
409.44
Synonyms:
None
SMILES:
C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOCCO)C(OCCO)=CC32
Tpsa:
105.96
Logp:
2.1135
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
11