CS-1002289
Brexpiprazole Impurity I
Manufacturer: ChemScene
CAS Number: 1886188-97-1
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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
C₁₃H₁₅NO₃
Molecular Weight
233.26
Synonyms
None
SMILES
O=C1C=CC=2C=CC(OCCCCO)=CC2N1
Tpsa
62.32
Logp
1.6794
H Acceptors
3
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1886188-97-1 | 7-(4-Hydroxybutoxy)-2(1H)-quinolinone | A2B Chem | -- |
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: C₁₃H₁₅NO₃
Molecular Weight: 233.26
Synonyms: None
SMILES: O=C1C=CC=2C=CC(OCCCCO)=CC2N1
Tpsa: 62.32
Logp: 1.6794
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₅NO₃
Molecular Weight:
233.26
Synonyms:
None
SMILES:
O=C1C=CC=2C=CC(OCCCCO)=CC2N1
Tpsa:
62.32
Logp:
1.6794
H Acceptors:
3
H Donors:
2
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: C₁₁H₁₇NO₄S
Molecular Weight: 259.32
Synonyms: None
SMILES: C([C@@H](CSC(C)=O)C)(=O)N1[C@@H](C(O)=O)CCC1
Tpsa: 74.68
Logp: 0.9778
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₇NO₄S
Molecular Weight:
259.32
Synonyms:
None
SMILES:
C([C@@H](CSC(C)=O)C)(=O)N1[C@@H](C(O)=O)CCC1
Tpsa:
74.68
Logp:
0.9778
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂N₂O₃S
Molecular Weight: 288.32
Synonyms: None
SMILES: N#CC=1C=C(C=CC1OCC)C2=NC(=C(S2)C(=O)O)C
Tpsa: 83.21
Logp: 3.0871
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂N₂O₃S
Molecular Weight:
288.32
Synonyms:
None
SMILES:
N#CC=1C=C(C=CC1OCC)C2=NC(=C(S2)C(=O)O)C
Tpsa:
83.21
Logp:
3.0871
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄O₃S₂
Molecular Weight: 222.32
Synonyms: None
SMILES: C(CCCC(O)=O)[C@H]1S(=O)SCC1
Tpsa: 54.37
Logp: 1.8006
H Acceptors: 3
H Donors: 1
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:
C₈H₁₄O₃S₂
Molecular Weight:
222.32
Synonyms:
None
SMILES:
C(CCCC(O)=O)[C@H]1S(=O)SCC1
Tpsa:
54.37
Logp:
1.8006
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5