CS-1013900
Sitagliptin impurity 16
Manufacturer: ChemScene
CAS Number: 769195-20-2
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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
C₂₄H₂₂F₆N₆O₂
Molecular Weight
540.46
Synonyms
None
SMILES
C(F)(F)(F)C=1N2C(CN(C(C[C@H](N[C@H](C(N)=O)C3=CC=CC=C3)CC4=C(F)C=C(F)C(F)=C4)=O)CC2)=NN1
Tpsa
106.14
Logp
2.874
H Acceptors
6
H Donors
2
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 769195-20-2 | Sitagliptin Impurity 16 | 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₂F₆N₆O₂
Molecular Weight: 540.46
Synonyms: None
SMILES: C(F)(F)(F)C=1N2C(CN(C(C[C@H](N[C@H](C(N)=O)C3=CC=CC=C3)CC4=C(F)C=C(F)C(F)=C4)=O)CC2)=NN1
Tpsa: 106.14
Logp: 2.874
H Acceptors: 6
H Donors: 2
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:
C₂₄H₂₂F₆N₆O₂
Molecular Weight:
540.46
Synonyms:
None
SMILES:
C(F)(F)(F)C=1N2C(CN(C(C[C@H](N[C@H](C(N)=O)C3=CC=CC=C3)CC4=C(F)C=C(F)C(F)=C4)=O)CC2)=NN1
Tpsa:
106.14
Logp:
2.874
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₀N₂O₇
Molecular Weight: 448.42
Synonyms: None
SMILES: C=C1[C@@H](O[C@H](COC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C3=CC=CC=C3)N4C(=O)NC(=O)C=C4
Tpsa: 116.69
Logp: 2.0728
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₀N₂O₇
Molecular Weight:
448.42
Synonyms:
None
SMILES:
C=C1[C@@H](O[C@H](COC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C3=CC=CC=C3)N4C(=O)NC(=O)C=C4
Tpsa:
116.69
Logp:
2.0728
H Acceptors:
8
H Donors:
1
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: C₂₃H₂₆N₂O₃
Molecular Weight: 378.46
Synonyms: None
SMILES: C(O[C@@H]1C2CCN(C1)CC2)(=O)N3C(C=4C(C(O)C3)=CC=CC4)C5=CC=CC=C5
Tpsa: 53.01
Logp: 3.3558
H Acceptors: 4
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:
C₂₃H₂₆N₂O₃
Molecular Weight:
378.46
Synonyms:
None
SMILES:
C(O[C@@H]1C2CCN(C1)CC2)(=O)N3C(C=4C(C(O)C3)=CC=CC4)C5=CC=CC=C5
Tpsa:
53.01
Logp:
3.3558
H Acceptors:
4
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: C₁₂H₁₃N₃O₂S
Molecular Weight: 263.32
Synonyms: None
SMILES: N#CCC1=CNC=2C=CC(=CC21)CS(=O)(=O)NC
Tpsa: 85.75
Logp: 1.28318
H Acceptors: 3
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:
C₁₂H₁₃N₃O₂S
Molecular Weight:
263.32
Synonyms:
None
SMILES:
N#CCC1=CNC=2C=CC(=CC21)CS(=O)(=O)NC
Tpsa:
85.75
Logp:
1.28318
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4