CS-1001259
Sitagliptin Impurity 115
Manufacturer: ChemScene
CAS Number: 1391554-42-9
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₄F₃NO₃
Molecular Weight
289.25
Synonyms
None
SMILES
C([C@@H](CC(OC)=O)NC(C)=O)C1=C(F)C=C(F)C(F)=C1
Tpsa
55.4
Logp
1.7142
H Acceptors
3
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1391554-42-9 | (S)-methyl3-acetamido-4-(2,4,5-trifluorophenyl)butanoate | A2B Chem | -- |
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄F₃NO₃
Molecular Weight: 289.25
Synonyms: None
SMILES: C([C@@H](CC(OC)=O)NC(C)=O)C1=C(F)C=C(F)C(F)=C1
Tpsa: 55.4
Logp: 1.7142
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄F₃NO₃
Molecular Weight:
289.25
Synonyms:
None
SMILES:
C([C@@H](CC(OC)=O)NC(C)=O)C1=C(F)C=C(F)C(F)=C1
Tpsa:
55.4
Logp:
1.7142
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: C₉H₁₀FN
Molecular Weight: 151.18
Synonyms: None
SMILES: N[C@H]1[C@@H](C1)C2=C(F)C=CC=C2
Tpsa: 26.02
Logp: 1.6403
H Acceptors: 1
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:
C₉H₁₀FN
Molecular Weight:
151.18
Synonyms:
None
SMILES:
N[C@H]1[C@@H](C1)C2=C(F)C=CC=C2
Tpsa:
26.02
Logp:
1.6403
H Acceptors:
1
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: C₆H₇NO₃
Molecular Weight: 141.12
Synonyms: None
SMILES: OC=1C=C(O)C(N)=C(O)C1
Tpsa: 86.71
Logp: 0.3856
H Acceptors: 4
H Donors: 4
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:
C₆H₇NO₃
Molecular Weight:
141.12
Synonyms:
None
SMILES:
OC=1C=C(O)C(N)=C(O)C1
Tpsa:
86.71
Logp:
0.3856
H Acceptors:
4
H Donors:
4
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: C₉H₁₃NO₆S
Molecular Weight: 263.27
Synonyms: None
SMILES: [C@H](OS(=O)(=O)O)(CNC)C1=CC(O)=C(O)C=C1
Tpsa: 116.09
Logp: 0.1777
H Acceptors: 6
H Donors: 4
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:
C₉H₁₃NO₆S
Molecular Weight:
263.27
Synonyms:
None
SMILES:
[C@H](OS(=O)(=O)O)(CNC)C1=CC(O)=C(O)C=C1
Tpsa:
116.09
Logp:
0.1777
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
5