CS-0608772
3-Oxo-4-(2,4,5-trifluorophenyl)butanoic acid Sitagliptin Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₁₀H₇F₃O₃
Molecular Weight
232.16
Synonyms
None
SMILES
O=C(CC(O)=O)CC1=CC(F)=C(F)C=C1F
Tpsa
54.37
Logp
1.6902
H Acceptors
2
H Donors
1
Rotatable Bonds
4
Other Options
...
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: C₁₀H₇F₃O₃
Molecular Weight: 232.16
Synonyms: None
SMILES: O=C(CC(O)=O)CC1=CC(F)=C(F)C=C1F
Tpsa: 54.37
Logp: 1.6902
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:
C₁₀H₇F₃O₃
Molecular Weight:
232.16
Synonyms:
None
SMILES:
O=C(CC(O)=O)CC1=CC(F)=C(F)C=C1F
Tpsa:
54.37
Logp:
1.6902
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: C₈H₈ClFN₄
Molecular Weight: 214.63
Synonyms: 2-FLUORO-6-CHLORO-9-(1-METHYLETHYL)-9H-PURINE(WX130403)
SMILES: ClC1=C2C(N(C=N2)C(C)C)=NC(F)=N1
Tpsa: 43.6
Logp: 2.1997
H Acceptors: 4
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:
C₈H₈ClFN₄
Molecular Weight:
214.63
Synonyms:
2-FLUORO-6-CHLORO-9-(1-METHYLETHYL)-9H-PURINE(WX130403)
SMILES:
ClC1=C2C(N(C=N2)C(C)C)=NC(F)=N1
Tpsa:
43.6
Logp:
2.1997
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₆BrN
Molecular Weight: 160.01
Synonyms: 3-Bromocyclobutanecarbonitrile
SMILES: N#CC1CC(Br)C1
Tpsa: 23.79
Logp: 1.68348
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆BrN
Molecular Weight:
160.01
Synonyms:
3-Bromocyclobutanecarbonitrile
SMILES:
N#CC1CC(Br)C1
Tpsa:
23.79
Logp:
1.68348
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: C₇H₁₀N₂O
Molecular Weight: 138.17
Synonyms: 3-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILES: C1([C@H]2NCCC2)=NOC=C1
Tpsa: 38.06
Logp: 1.0991
H Acceptors: 3
H Donors: 1
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:
C₇H₁₀N₂O
Molecular Weight:
138.17
Synonyms:
3-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILES:
C1([C@H]2NCCC2)=NOC=C1
Tpsa:
38.06
Logp:
1.0991
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1