CS-1003010
Sitagliptin Impurity M
Manufacturer: ChemScene
CAS Number: 2379621-81-3
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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
C₂₅H₂₆F₆N₂O₅
Molecular Weight
548.47
Synonyms
None
SMILES
[C@@H](CC1=C(F)C=C(F)C(F)=C1)(CC(N[C@H](CC2=C(F)C=C(F)C(F)=C2)CC(O)=O)=O)NC(OC(C)(C)C)=O
Tpsa
104.73
Logp
4.5493
H Acceptors
4
H Donors
3
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2379621-81-3 | .BETA.-(((3R)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-1-OXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)AMINO)-2,4,5-TRIFLUOROBENZENEBUTANOIC ACID, (.BETA.R)- | A2B Chem | -- |
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
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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: C₂₅H₂₆F₆N₂O₅
Molecular Weight: 548.47
Synonyms: None
SMILES: [C@@H](CC1=C(F)C=C(F)C(F)=C1)(CC(N[C@H](CC2=C(F)C=C(F)C(F)=C2)CC(O)=O)=O)NC(OC(C)(C)C)=O
Tpsa: 104.73
Logp: 4.5493
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 10
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₆F₆N₂O₅
Molecular Weight:
548.47
Synonyms:
None
SMILES:
[C@@H](CC1=C(F)C=C(F)C(F)=C1)(CC(N[C@H](CC2=C(F)C=C(F)C(F)=C2)CC(O)=O)=O)NC(OC(C)(C)C)=O
Tpsa:
104.73
Logp:
4.5493
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
10
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₉H₁₀₇ClO₄₆S₇
Molecular Weight: 1932.47
Synonyms: None
SMILES: C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CCl)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa: 732.46
Logp: -7.6507
H Acceptors: 46
H Donors: 23
Rotatable Bonds: 36
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₉H₁₀₇ClO₄₆S₇
Molecular Weight:
1932.47
Synonyms:
None
SMILES:
C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CCl)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa:
732.46
Logp:
-7.6507
H Acceptors:
46
H Donors:
23
Rotatable Bonds:
36
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₃NNa₂O₉S₂
Molecular Weight: 497.41
Synonyms: None
SMILES: O=S(OC1=CC=C(C(C2=NC=CC=C2)(C3=CC=C(C=C3)OS(=O)(O)=O)O[Na])C=C1)(O[Na])=O
Tpsa: 138.32
Logp: 1.3789
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 9
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₃NNa₂O₉S₂
Molecular Weight:
497.41
Synonyms:
None
SMILES:
O=S(OC1=CC=C(C(C2=NC=CC=C2)(C3=CC=C(C=C3)OS(=O)(O)=O)O[Na])C=C1)(O[Na])=O
Tpsa:
138.32
Logp:
1.3789
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈N₂O₄
Molecular Weight: 172.14
Synonyms: None
SMILES: C(O)(=O)[C@H]1NC(=O)NC(=O)CC1
Tpsa: 95.5
Logp: -0.9408
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₈N₂O₄
Molecular Weight:
172.14
Synonyms:
None
SMILES:
C(O)(=O)[C@H]1NC(=O)NC(=O)CC1
Tpsa:
95.5
Logp:
-0.9408
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
1