CS-1003217
Brexpiprazole Impurity 31
Manufacturer: ChemScene
CAS Number: 2549192-46-1
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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
C₁₆H₂₂N₂OS
Molecular Weight
290.42
Synonyms
None
SMILES
[OH-].S1C=CC=2C1=CC=CC2N3CC[N+]4(CC3)CCCC4
Tpsa
33.24
Logp
3.1551
H Acceptors
3
H Donors
0
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: C₁₆H₂₂N₂OS
Molecular Weight: 290.42
Synonyms: None
SMILES: [OH-].S1C=CC=2C1=CC=CC2N3CC[N+]4(CC3)CCCC4
Tpsa: 33.24
Logp: 3.1551
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₂N₂OS
Molecular Weight:
290.42
Synonyms:
None
SMILES:
[OH-].S1C=CC=2C1=CC=CC2N3CC[N+]4(CC3)CCCC4
Tpsa:
33.24
Logp:
3.1551
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₀O₅
Molecular Weight: 150.13
Synonyms: None
SMILES: C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H](O)O1
Tpsa: 90.15
Logp: -2.5823
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₀O₅
Molecular Weight:
150.13
Synonyms:
None
SMILES:
C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H](O)O1
Tpsa:
90.15
Logp:
-2.5823
H Acceptors:
5
H Donors:
4
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: C₂₅H₂₆N₆O₃
Molecular Weight: 458.51
Synonyms: None
SMILES: O=C(N1CCCC(N2N=C(C=3C=CC(OC=4C=CC=CC4)=CC3)C=5C(=NC=NC52)N)C1)CCO
Tpsa: 119.39
Logp: 3.4137
H Acceptors: 8
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:
C₂₅H₂₆N₆O₃
Molecular Weight:
458.51
Synonyms:
None
SMILES:
O=C(N1CCCC(N2N=C(C=3C=CC(OC=4C=CC=CC4)=CC3)C=5C(=NC=NC52)N)C1)CCO
Tpsa:
119.39
Logp:
3.4137
H Acceptors:
8
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: C₉H₉NO₄
Molecular Weight: 195.17
Synonyms: None
SMILES: O=C(O)C1C2=CC(O)=C(O)C=C2NC1
Tpsa: 89.79
Logp: 0.6915
H Acceptors: 4
H Donors: 4
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:
C₉H₉NO₄
Molecular Weight:
195.17
Synonyms:
None
SMILES:
O=C(O)C1C2=CC(O)=C(O)C=C2NC1
Tpsa:
89.79
Logp:
0.6915
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
1