CS-1001935
Brexpiprazole Impurity 116
Manufacturer: ChemScene
CAS Number: 1677681-04-7
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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
C₁₃H₁₄N₂OS
Molecular Weight
246.33
Synonyms
None
SMILES
O=CN1CCN(C=2C=CC=C3SC=CC32)CC1
Tpsa
23.55
Logp
2.1797
H Acceptors
3
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1677681-04-7 | 1-Piperazinecarboxaldehyde, 4-benzo[b]thien-4-yl- | 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: C₁₃H₁₄N₂OS
Molecular Weight: 246.33
Synonyms: None
SMILES: O=CN1CCN(C=2C=CC=C3SC=CC32)CC1
Tpsa: 23.55
Logp: 2.1797
H Acceptors: 3
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:
C₁₃H₁₄N₂OS
Molecular Weight:
246.33
Synonyms:
None
SMILES:
O=CN1CCN(C=2C=CC=C3SC=CC32)CC1
Tpsa:
23.55
Logp:
2.1797
H Acceptors:
3
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: C₁₉H₂₁ClN₂
Molecular Weight: 312.84
Synonyms: None
SMILES: ClC1=CC=C2C(=C1)CCC3=CC=CN=C3C2C4CCNCC4
Tpsa: 24.92
Logp: 3.9651
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₁ClN₂
Molecular Weight:
312.84
Synonyms:
None
SMILES:
ClC1=CC=C2C(=C1)CCC3=CC=CN=C3C2C4CCNCC4
Tpsa:
24.92
Logp:
3.9651
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆O₅
Molecular Weight: 182.13
Synonyms: None
SMILES: O=CC1=CC(O)=C(O)C(O)=C1C=O
Tpsa: 94.83
Logp: 0.4284
H Acceptors: 5
H Donors: 3
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:
C₈H₆O₅
Molecular Weight:
182.13
Synonyms:
None
SMILES:
O=CC1=CC(O)=C(O)C(O)=C1C=O
Tpsa:
94.83
Logp:
0.4284
H Acceptors:
5
H Donors:
3
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: C₁₈H₁₇N₃O₆
Molecular Weight: 371.34
Synonyms: None
SMILES: N#CCCOC(=O)C1=C(NC(=C(C(=O)O)C1C=2C=CC=C(C2)N(=O)=O)C)C
Tpsa: 142.56
Logp: 2.37108
H Acceptors: 7
H Donors: 2
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:
C₁₈H₁₇N₃O₆
Molecular Weight:
371.34
Synonyms:
None
SMILES:
N#CCCOC(=O)C1=C(NC(=C(C(=O)O)C1C=2C=CC=C(C2)N(=O)=O)C)C
Tpsa:
142.56
Logp:
2.37108
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
6