CS-1000637
Brexpiprazole Impurity 85
Manufacturer: ChemScene
CAS Number: 1191900-95-4
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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
C₁₂H₁₄N₂O₂S
Molecular Weight
250.32
Synonyms
None
SMILES
O=S1(=O)C=CC=2C(=CC=CC21)N3CCNCC3
Tpsa
49.41
Logp
0.8542
H Acceptors
4
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
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: C₁₂H₁₄N₂O₂S
Molecular Weight: 250.32
Synonyms: None
SMILES: O=S1(=O)C=CC=2C(=CC=CC21)N3CCNCC3
Tpsa: 49.41
Logp: 0.8542
H Acceptors: 4
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:
C₁₂H₁₄N₂O₂S
Molecular Weight:
250.32
Synonyms:
None
SMILES:
O=S1(=O)C=CC=2C(=CC=CC21)N3CCNCC3
Tpsa:
49.41
Logp:
0.8542
H Acceptors:
4
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: C₆H₇N₃O₃
Molecular Weight: 169.14
Synonyms: None
SMILES: O=N(=O)C=1N=CN(C1)CC2OC2
Tpsa: 73.49
Logp: 0.1901
H Acceptors: 5
H Donors: 0
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:
C₆H₇N₃O₃
Molecular Weight:
169.14
Synonyms:
None
SMILES:
O=N(=O)C=1N=CN(C1)CC2OC2
Tpsa:
73.49
Logp:
0.1901
H Acceptors:
5
H Donors:
0
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: C₆H₇N₃O₃
Molecular Weight: 169.14
Synonyms: None
SMILES: O=N(=O)C1=CN=CN1CC2OC2
Tpsa: 73.49
Logp: 0.1901
H Acceptors: 5
H Donors: 0
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:
C₆H₇N₃O₃
Molecular Weight:
169.14
Synonyms:
None
SMILES:
O=N(=O)C1=CN=CN1CC2OC2
Tpsa:
73.49
Logp:
0.1901
H Acceptors:
5
H Donors:
0
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: C₁₅H₂₀BrNO₃
Molecular Weight: 342.23
Synonyms: None
SMILES: O=C1N(CCC2=CC(OC)=C(OC)C=C2C1)CCCBr
Tpsa: 38.77
Logp: 2.416
H Acceptors: 3
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:
C₁₅H₂₀BrNO₃
Molecular Weight:
342.23
Synonyms:
None
SMILES:
O=C1N(CCC2=CC(OC)=C(OC)C=C2C1)CCCBr
Tpsa:
38.77
Logp:
2.416
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5