CS-1002597
Brexpiprazole Impurity 55
Manufacturer: ChemScene
CAS Number: 2116542-22-2
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₄ClNO₂
Molecular Weight
251.71
Synonyms
None
SMILES
O=C1C=CC=2C(OCCCCCl)=CC=CC2N1
Tpsa
42.09
Logp
2.9259
H Acceptors
2
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 5-(4-Chlorobutoxy)quinolin-2(1H)-one | Aaron Chemicals LLC | -- | |
| | 2116542-22-2 | 5-(4-Chlorobutoxy)quinolin-2(1H)-one | 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: C₁₃H₁₄ClNO₂
Molecular Weight: 251.71
Synonyms: None
SMILES: O=C1C=CC=2C(OCCCCCl)=CC=CC2N1
Tpsa: 42.09
Logp: 2.9259
H Acceptors: 2
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:
C₁₃H₁₄ClNO₂
Molecular Weight:
251.71
Synonyms:
None
SMILES:
O=C1C=CC=2C(OCCCCCl)=CC=CC2N1
Tpsa:
42.09
Logp:
2.9259
H Acceptors:
2
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: C₄₉H₃₈N₈O₇
Molecular Weight: 850.88
Synonyms: None
SMILES: O=C(O)C1=CC=CC=2N=C(OCC)N(C21)CC=3C=CC(=CC3)C=4C=CC=CC4C5=NOC(=N5)C=6C=CC=C7N=C(OCC)N(C76)CC=8C=CC(=CC8)C=9C=CC=CC9C%10=NOC(=O)N%10
Tpsa: 189.21
Logp: 9.3725
H Acceptors: 13
H Donors: 2
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₃₈N₈O₇
Molecular Weight:
850.88
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC=2N=C(OCC)N(C21)CC=3C=CC(=CC3)C=4C=CC=CC4C5=NOC(=N5)C=6C=CC=C7N=C(OCC)N(C76)CC=8C=CC(=CC8)C=9C=CC=CC9C%10=NOC(=O)N%10
Tpsa:
189.21
Logp:
9.3725
H Acceptors:
13
H Donors:
2
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₄F₃N₇O
Molecular Weight: 543.54
Synonyms: None
SMILES: O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=C(N=C2C)C)C3=CC=C(C(=C3)NC=4N=CC=C(N4)C5=CN=CC=C5)C
Tpsa: 97.62
Logp: 6.66426
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:
C₂₉H₂₄F₃N₇O
Molecular Weight:
543.54
Synonyms:
None
SMILES:
O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=C(N=C2C)C)C3=CC=C(C(=C3)NC=4N=CC=C(N4)C5=CN=CC=C5)C
Tpsa:
97.62
Logp:
6.66426
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: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: [C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
H Donors: 2
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
[C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4