CS-0914228
(3aR,4S,7R,7aS)-2-(((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl) piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7- methanoisoindole-1,3(2H)-dione (3aR,4S,7R,7aS)-2-(((1S,2R)-2-((4-(benzo[d]isothiazol-3-yl) piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7- methanoisoindole-1,3(2H)-dione
Manufacturer: ChemScene
CAS Number: 1318074-18-8
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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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1318074-18-8 | Lurasidone 2-Epimer Hydrochloride | A2B Chem | -- |
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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: 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: C₉H₁₃NO₃
Molecular Weight: 183.20
Synonyms: None
SMILES: C(N)(=O)[C@@H]1[C@H](C(O)=O)[C@]2(C[C@@]1(CC2)[H])[H]
Tpsa: 80.39
Logp: 0.2186
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃NO₃
Molecular Weight:
183.20
Synonyms:
None
SMILES:
C(N)(=O)[C@@H]1[C@H](C(O)=O)[C@]2(C[C@@]1(CC2)[H])[H]
Tpsa:
80.39
Logp:
0.2186
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₉N₃O
Molecular Weight: 375.51
Synonyms: None
SMILES: CN1C2=C3N([C@@]4([C@](C3=CC=C2)(CN(CCCC(=O)C5=CC=CC=C5)CC4)[H])[H])CC1
Tpsa: 26.79
Logp: 3.7774
H Acceptors: 4
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:
C₂₄H₂₉N₃O
Molecular Weight:
375.51
Synonyms:
None
SMILES:
CN1C2=C3N([C@@]4([C@](C3=CC=C2)(CN(CCCC(=O)C5=CC=CC=C5)CC4)[H])[H])CC1
Tpsa:
26.79
Logp:
3.7774
H Acceptors:
4
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: C₂₄H₃₀FN₃O
Molecular Weight: 395.51
Synonyms: None
SMILES: CN1C2=C3C([C@]4([C@@](N3CC1)(CCN(CCCC(O)C5=CC=C(F)C=C5)C4)[H])[H])=CC=C2
Tpsa: 29.95
Logp: 3.7672
H Acceptors: 4
H Donors: 1
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:
C₂₄H₃₀FN₃O
Molecular Weight:
395.51
Synonyms:
None
SMILES:
CN1C2=C3C([C@]4([C@@](N3CC1)(CCN(CCCC(O)C5=CC=C(F)C=C5)C4)[H])[H])=CC=C2
Tpsa:
29.95
Logp:
3.7672
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5