CS-1001277
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-, hydrochloride (1:1), (3aR,4R,7S,7aS)-rel-
Manufacturer: ChemScene
CAS Number: 139563-24-9
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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
C₂₈H₃₇ClN₄O₂S
Molecular Weight
529.14
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].Cl
Tpsa
56.75
Logp
4.6776
H Acceptors
6
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Lurasidone Impurity 36 | Aaron Chemicals LLC | -- | |
| | 139563-24-9 | Lurasidone Impurity 36 | A2B Chem | -- |
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₇ClN₄O₂S
Molecular Weight: 529.14
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].Cl
Tpsa: 56.75
Logp: 4.6776
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:
C₂₈H₃₇ClN₄O₂S
Molecular Weight:
529.14
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].Cl
Tpsa:
56.75
Logp:
4.6776
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₉Cl₂NO₃
Molecular Weight: 322.14
Synonyms: None
SMILES: O=C(OC)C=1C=CC=2N=C(OC2C1)C=3C=C(Cl)C=C(Cl)C3
Tpsa: 52.33
Logp: 4.5882
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₉Cl₂NO₃
Molecular Weight:
322.14
Synonyms:
None
SMILES:
O=C(OC)C=1C=CC=2N=C(OC2C1)C=3C=C(Cl)C=C(Cl)C3
Tpsa:
52.33
Logp:
4.5882
H Acceptors:
4
H Donors:
0
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: C₁₈H₂₀ClN₃O₃S
Molecular Weight: 393.89
Synonyms: None
SMILES: O=S(C1=NC=2C=CC=CC2N1)C(Cl)C3=NC=CC(OCCCOC)=C3C
Tpsa: 77.1
Logp: 3.72682
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₀ClN₃O₃S
Molecular Weight:
393.89
Synonyms:
None
SMILES:
O=S(C1=NC=2C=CC=CC2N1)C(Cl)C3=NC=CC(OCCCOC)=C3C
Tpsa:
77.1
Logp:
3.72682
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₃F₂NO₂Si
Molecular Weight: 445.62
Synonyms: None
SMILES: O([Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C=2C(C(=O)[C@H](CC1)C3=C(F)C(F)=CC=C3)=CC=CN2
Tpsa: 39.19
Logp: 7.3533
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₃F₂NO₂Si
Molecular Weight:
445.62
Synonyms:
None
SMILES:
O([Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C=2C(C(=O)[C@H](CC1)C3=C(F)C(F)=CC=C3)=CC=CN2
Tpsa:
39.19
Logp:
7.3533
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6