CS-1003082
Sitagliptin Impurity 108
Manufacturer: ChemScene
CAS Number: 2415991-81-8
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
C₂₀H₁₇F₆N₅O₄
Molecular Weight
505.37
Synonyms
None
SMILES
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=C(F)C(F)=C3)NC(/C=C/C(O)=O)=O)=O)CC2)=NN1
Tpsa
117.42
Logp
1.8148
H Acceptors
6
H Donors
2
Rotatable Bonds
7
SAFETY INFORMATION
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: C₂₀H₁₇F₆N₅O₄
Molecular Weight: 505.37
Synonyms: None
SMILES: C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=C(F)C(F)=C3)NC(/C=C/C(O)=O)=O)=O)CC2)=NN1
Tpsa: 117.42
Logp: 1.8148
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₇F₆N₅O₄
Molecular Weight:
505.37
Synonyms:
None
SMILES:
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=C(F)C(F)=C3)NC(/C=C/C(O)=O)=O)=O)CC2)=NN1
Tpsa:
117.42
Logp:
1.8148
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₆N₄O₄
Molecular Weight: 256.26
Synonyms: None
SMILES: C(CC(N)=O)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1
Tpsa: 144.38
Logp: -2.4994
H Acceptors: 4
H Donors: 4
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:
C₁₀H₁₆N₄O₄
Molecular Weight:
256.26
Synonyms:
None
SMILES:
C(CC(N)=O)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1
Tpsa:
144.38
Logp:
-2.4994
H Acceptors:
4
H Donors:
4
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: C₂₂H₃₁N₃O₆S₂
Molecular Weight: 497.63
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@H](C)C1SC3CN(C3)C4=NCCS4)[H]
Tpsa: 108.74
Logp: 1.6657
H Acceptors: 10
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:
C₂₂H₃₁N₃O₆S₂
Molecular Weight:
497.63
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@H](C)C1SC3CN(C3)C4=NCCS4)[H]
Tpsa:
108.74
Logp:
1.6657
H Acceptors:
10
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: C₁₀H₁₁NO
Molecular Weight: 161.20
Synonyms: None
SMILES: N#CCCC(O)C=1C=CC=CC1
Tpsa: 44.02
Logp: 2.02378
H Acceptors: 2
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:
C₁₀H₁₁NO
Molecular Weight:
161.20
Synonyms:
None
SMILES:
N#CCCC(O)C=1C=CC=CC1
Tpsa:
44.02
Logp:
2.02378
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3