CS-0536347
((1R,2R)-cyclohexane-1,2-diyl)bis(methylene) bis(4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate)
Manufacturer: ChemScene
CAS Number: 1807983-61-4
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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
C₃₂H₃₈N₆O₄S₂
Molecular Weight
634.81
Synonyms
lurasidone-16
SMILES
O=C(N1CCN(C2=NSC3=CC=CC=C23)CC1)OC[C@H]4[C@H](COC(N5CCN(C6=NSC7=CC=CC=C67)CC5)=O)CCCC4
Tpsa
91.34
Logp
5.9298
H Acceptors
10
H Donors
0
Rotatable Bonds
6
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: C₃₂H₃₈N₆O₄S₂
Molecular Weight: 634.81
Synonyms: lurasidone-16
SMILES: O=C(N1CCN(C2=NSC3=CC=CC=C23)CC1)OC[C@H]4[C@H](COC(N5CCN(C6=NSC7=CC=CC=C67)CC5)=O)CCCC4
Tpsa: 91.34
Logp: 5.9298
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₈N₆O₄S₂
Molecular Weight:
634.81
Synonyms:
lurasidone-16
SMILES:
O=C(N1CCN(C2=NSC3=CC=CC=C23)CC1)OC[C@H]4[C@H](COC(N5CCN(C6=NSC7=CC=CC=C67)CC5)=O)CCCC4
Tpsa:
91.34
Logp:
5.9298
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄N₂O₃S
Molecular Weight: 314.36
Synonyms: 4-(3-methyl-4-phenylisoxazol-5-yl)benzenesulfonamide
SMILES: CC1=NOC(=C1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
Tpsa: 86.19
Logp: 2.96442
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄N₂O₃S
Molecular Weight:
314.36
Synonyms:
4-(3-methyl-4-phenylisoxazol-5-yl)benzenesulfonamide
SMILES:
CC1=NOC(=C1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
Tpsa:
86.19
Logp:
2.96442
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄N₂O₃S
Molecular Weight: 314.36
Synonyms: Parecoxib Sodium-10
SMILES: CC1=C(C(=NO1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
Tpsa: 86.19
Logp: 2.96442
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄N₂O₃S
Molecular Weight:
314.36
Synonyms:
Parecoxib Sodium-10
SMILES:
CC1=C(C(=NO1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
Tpsa:
86.19
Logp:
2.96442
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD16293804
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₃NO₄
Molecular Weight: 269.34
Synonyms: tert-butyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
SMILES: CC1(O[C@@H](C[C@H](O1)CC(=O)OC(C)(C)C)CC#N)C
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD16293804
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₃NO₄
Molecular Weight:
269.34
Synonyms:
tert-butyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
SMILES:
CC1(O[C@@H](C[C@H](O1)CC(=O)OC(C)(C)C)CC#N)C
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A