CS-1001548
Sitagliptin Impurity 44
Manufacturer: ChemScene
CAS Number: 1485732-85-1
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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
C₈H₁₁F₃N₆O
Molecular Weight
264.21
Synonyms
None
SMILES
O=C(NN)CN1CC2=NN=C(N2CC1)C(F)(F)F
Tpsa
89.07
Logp
-0.8976
H Acceptors
6
H Donors
2
Rotatable Bonds
2
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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
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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: C₈H₁₁F₃N₆O
Molecular Weight: 264.21
Synonyms: None
SMILES: O=C(NN)CN1CC2=NN=C(N2CC1)C(F)(F)F
Tpsa: 89.07
Logp: -0.8976
H Acceptors: 6
H Donors: 2
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:
C₈H₁₁F₃N₆O
Molecular Weight:
264.21
Synonyms:
None
SMILES:
O=C(NN)CN1CC2=NN=C(N2CC1)C(F)(F)F
Tpsa:
89.07
Logp:
-0.8976
H Acceptors:
6
H Donors:
2
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: C₁₄H₁₈N₂O₁₂P₄
Molecular Weight: 530.19
Synonyms: None
SMILES: O=P(O)(O)C1(OP(=O)(O)C(OP1(=O)O)(CC=2C=NC=CC2)P(=O)(O)O)CC=3C=NC=CC3
Tpsa: 233.9
Logp: 1.3424
H Acceptors: 8
H Donors: 6
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:
C₁₄H₁₈N₂O₁₂P₄
Molecular Weight:
530.19
Synonyms:
None
SMILES:
O=P(O)(O)C1(OP(=O)(O)C(OP1(=O)O)(CC=2C=NC=CC2)P(=O)(O)O)CC=3C=NC=CC3
Tpsa:
233.9
Logp:
1.3424
H Acceptors:
8
H Donors:
6
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: C₁₈H₂₀N₂O₄
Molecular Weight: 328.36
Synonyms: None
SMILES: C(N1C(/C=C/C(O)=O)=CN=C1CCCC)C2=CC=C(C(O)=O)C=C2
Tpsa: 92.42
Logp: 3.07
H Acceptors: 4
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:
C₁₈H₂₀N₂O₄
Molecular Weight:
328.36
Synonyms:
None
SMILES:
C(N1C(/C=C/C(O)=O)=CN=C1CCCC)C2=CC=C(C(O)=O)C=C2
Tpsa:
92.42
Logp:
3.07
H Acceptors:
4
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: C₂₃H₂₄N₂O₄S
Molecular Weight: 424.51
Synonyms: None
SMILES: C(N1C(/C=C(/CC2=CC=CS2)\C(O)=O)=CN=C1CCCC)C3=CC=C(C(O)=O)C=C3
Tpsa: 92.42
Logp: 4.7444
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₄N₂O₄S
Molecular Weight:
424.51
Synonyms:
None
SMILES:
C(N1C(/C=C(/CC2=CC=CS2)\C(O)=O)=CN=C1CCCC)C3=CC=C(C(O)=O)C=C3
Tpsa:
92.42
Logp:
4.7444
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
10