CS-1001498
Brexpiprazole Impurity K
Manufacturer: ChemScene
CAS Number: 146121-18-8
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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
C₁₂H₁₂ClNO₂
Molecular Weight
237.68
Synonyms
None
SMILES
O=C1C=CC=2C(OCCCCl)=CC=CC2N1
Tpsa
42.09
Logp
2.5358
H Acceptors
2
H Donors
1
Rotatable Bonds
4
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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: C₁₂H₁₂ClNO₂
Molecular Weight: 237.68
Synonyms: None
SMILES: O=C1C=CC=2C(OCCCCl)=CC=CC2N1
Tpsa: 42.09
Logp: 2.5358
H Acceptors: 2
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:
C₁₂H₁₂ClNO₂
Molecular Weight:
237.68
Synonyms:
None
SMILES:
O=C1C=CC=2C(OCCCCl)=CC=CC2N1
Tpsa:
42.09
Logp:
2.5358
H Acceptors:
2
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: C₁₀H₁₀N₄O
Molecular Weight: 202.21
Synonyms: None
SMILES: O=C(N)C1=CC=C(C=C1)CN2N=CN=C2
Tpsa: 73.8
Logp: 0.4253
H Acceptors: 4
H Donors: 1
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:
C₁₀H₁₀N₄O
Molecular Weight:
202.21
Synonyms:
None
SMILES:
O=C(N)C1=CC=C(C=C1)CN2N=CN=C2
Tpsa:
73.8
Logp:
0.4253
H Acceptors:
4
H Donors:
1
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: C₂₀H₃₀N₂O₃
Molecular Weight: 346.46
Synonyms: None
SMILES: C(C=1C=C(OC/C=C\COC2CCCCO2)N=CC1)N3CCCCC3
Tpsa: 43.82
Logp: 3.5457
H Acceptors: 5
H Donors: 0
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:
C₂₀H₃₀N₂O₃
Molecular Weight:
346.46
Synonyms:
None
SMILES:
C(C=1C=C(OC/C=C\COC2CCCCO2)N=CC1)N3CCCCC3
Tpsa:
43.82
Logp:
3.5457
H Acceptors:
5
H Donors:
0
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: C₁₉H₂₈O
Molecular Weight: 272.43
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CCC1(CC=CC2)[H])[H])[H]
Tpsa: 17.07
Logp: 4.7643
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₈O
Molecular Weight:
272.43
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CCC1(CC=CC2)[H])[H])[H]
Tpsa:
17.07
Logp:
4.7643
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0