CS-1001128
Sitagliptin Impurity 131
Manufacturer: ChemScene
CAS Number: 1351564-28-7
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₃F₆N₅O₃
Molecular Weight
437.30
Synonyms
None
SMILES
O=C(N1CC2=NN=C(N2CC1)C(F)(F)F)CC(N(=O)=O)CC3=CC(F)=C(F)C=C3F
Tpsa
94.16
Logp
2.3345
H Acceptors
6
H Donors
0
Rotatable Bonds
5
Related Products
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
Compare Similar Items
Show Difference
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃F₆N₅O₃
Molecular Weight: 437.30
Synonyms: None
SMILES: O=C(N1CC2=NN=C(N2CC1)C(F)(F)F)CC(N(=O)=O)CC3=CC(F)=C(F)C=C3F
Tpsa: 94.16
Logp: 2.3345
H Acceptors: 6
H Donors: 0
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:
C₁₆H₁₃F₆N₅O₃
Molecular Weight:
437.30
Synonyms:
None
SMILES:
O=C(N1CC2=NN=C(N2CC1)C(F)(F)F)CC(N(=O)=O)CC3=CC(F)=C(F)C=C3F
Tpsa:
94.16
Logp:
2.3345
H Acceptors:
6
H Donors:
0
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: C₃₁H₅₂N₂O₃
Molecular Weight: 500.76
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]
Tpsa: 53.01
Logp: 5.2505
H Acceptors: 5
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:
C₃₁H₅₂N₂O₃
Molecular Weight:
500.76
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]
Tpsa:
53.01
Logp:
5.2505
H Acceptors:
5
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: C₉H₁₂N₂O₄S
Molecular Weight: 244.27
Synonyms: None
SMILES: O=C(N(O)S(=O)(=O)C=1C=CC=CC1)N(C)C
Tpsa: 77.92
Logp: 0.7481
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:
C₉H₁₂N₂O₄S
Molecular Weight:
244.27
Synonyms:
None
SMILES:
O=C(N(O)S(=O)(=O)C=1C=CC=CC1)N(C)C
Tpsa:
77.92
Logp:
0.7481
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: C₂₁H₂₆ClNO
Molecular Weight: 343.89
Synonyms: None
SMILES: [C@@](OC1CCN(C)CCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3
Tpsa: 12.47
Logp: 5.1044
H Acceptors: 2
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:
C₂₁H₂₆ClNO
Molecular Weight:
343.89
Synonyms:
None
SMILES:
[C@@](OC1CCN(C)CCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3
Tpsa:
12.47
Logp:
5.1044
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4