CS-1002841
Brexpiprazole Impurity 56
Manufacturer: ChemScene
CAS Number: 2245315-88-0
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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
C₁₉H₂₀ClNO₂
Molecular Weight
329.82
Synonyms
None
SMILES
O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCCl)C2
Tpsa
38.33
Logp
4.7363
H Acceptors
2
H Donors
1
Rotatable Bonds
8
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: C₁₉H₂₀ClNO₂
Molecular Weight: 329.82
Synonyms: None
SMILES: O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCCl)C2
Tpsa: 38.33
Logp: 4.7363
H Acceptors: 2
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:
C₁₉H₂₀ClNO₂
Molecular Weight:
329.82
Synonyms:
None
SMILES:
O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCCl)C2
Tpsa:
38.33
Logp:
4.7363
H Acceptors:
2
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: C₃₀H₄₆ClN₃O₁₃
Molecular Weight: 692.15
Synonyms: None
SMILES: N(C(=O)C1=C2C(=C(N)C(Cl)=C1)CCO2)(C3(CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](CO)O3)C5CCN(CCCOC)CC5
Tpsa: 237.33
Logp: -2.5741
H Acceptors: 15
H Donors: 8
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₆ClN₃O₁₃
Molecular Weight:
692.15
Synonyms:
None
SMILES:
N(C(=O)C1=C2C(=C(N)C(Cl)=C1)CCO2)(C3(CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](CO)O3)C5CCN(CCCOC)CC5
Tpsa:
237.33
Logp:
-2.5741
H Acceptors:
15
H Donors:
8
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₄₆ClN₃O₁₃
Molecular Weight: 692.15
Synonyms: None
SMILES: N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa: 232.13
Logp: -2.4568
H Acceptors: 15
H Donors: 9
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₆ClN₃O₁₃
Molecular Weight:
692.15
Synonyms:
None
SMILES:
N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa:
232.13
Logp:
-2.4568
H Acceptors:
15
H Donors:
9
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈F₂O
Molecular Weight: 170.16
Synonyms: None
SMILES: C(=C\CO)\C1=CC(F)=C(F)C=C1
Tpsa: 20.23
Logp: 1.9703
H Acceptors: 1
H Donors: 1
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:
C₉H₈F₂O
Molecular Weight:
170.16
Synonyms:
None
SMILES:
C(=C\CO)\C1=CC(F)=C(F)C=C1
Tpsa:
20.23
Logp:
1.9703
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2