CS-0608765
4-(2,4-Difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butane-1,3-dione 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
C₁₆H₁₃F₅N₄O₂
Molecular Weight
388.29
Synonyms
None
SMILES
O=C(CC(N1CCN2C(C1)=NN=C2C(F)(F)F)=O)CC3=C(F)C=C(F)C=C3
Tpsa
68.09
Logp
2.1192
H Acceptors
5
H Donors
0
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: C₁₆H₁₃F₅N₄O₂
Molecular Weight: 388.29
Synonyms: None
SMILES: O=C(CC(N1CCN2C(C1)=NN=C2C(F)(F)F)=O)CC3=C(F)C=C(F)C=C3
Tpsa: 68.09
Logp: 2.1192
H Acceptors: 5
H Donors: 0
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:
C₁₆H₁₃F₅N₄O₂
Molecular Weight:
388.29
Synonyms:
None
SMILES:
O=C(CC(N1CCN2C(C1)=NN=C2C(F)(F)F)=O)CC3=C(F)C=C(F)C=C3
Tpsa:
68.09
Logp:
2.1192
H Acceptors:
5
H Donors:
0
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: C₇H₁₀BNO₂
Molecular Weight: 150.97
Synonyms: None
SMILES: OB(C1=CC(C)=NC=C1C)O
Tpsa: 53.35
Logp: -0.62176
H Acceptors: 3
H Donors: 2
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:
C₇H₁₀BNO₂
Molecular Weight:
150.97
Synonyms:
None
SMILES:
OB(C1=CC(C)=NC=C1C)O
Tpsa:
53.35
Logp:
-0.62176
H Acceptors:
3
H Donors:
2
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: C₁₀H₉BrN₂
Molecular Weight: 237.10
Synonyms: None
SMILES: NCC1=NC2=CC=C(Br)C=C2C=C1
Tpsa: 38.91
Logp: 2.456
H Acceptors: 2
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:
C₁₀H₉BrN₂
Molecular Weight:
237.10
Synonyms:
None
SMILES:
NCC1=NC2=CC=C(Br)C=C2C=C1
Tpsa:
38.91
Logp:
2.456
H Acceptors:
2
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: C₁₄H₁₂F₂O₅
Molecular Weight: 298.24
Synonyms: None
SMILES: O=C(OC(C)(C)OC/1=O)C1=C(O)/CC2=CC(F)=CC=C2F
Tpsa: 72.83
Logp: 2.1555
H Acceptors: 5
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:
C₁₄H₁₂F₂O₅
Molecular Weight:
298.24
Synonyms:
None
SMILES:
O=C(OC(C)(C)OC/1=O)C1=C(O)/CC2=CC(F)=CC=C2F
Tpsa:
72.83
Logp:
2.1555
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2