CS-0915396
Sitagliptin impurity H
Manufacturer: ChemScene
CAS Number: 1345822-88-9
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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
C₁₆H₁₉F₅N₅O₅P
Molecular Weight
487.32
Synonyms
None
SMILES
P(=O)(O)(O)O.C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=CC(F)=C(F)C=C3)N)=O)CC2)=NN1
Tpsa
154.8
Logp
0.9488
H Acceptors
6
H Donors
4
Rotatable Bonds
4
Related Products
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉F₅N₅O₅P
Molecular Weight: 487.32
Synonyms: None
SMILES: P(=O)(O)(O)O.C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=CC(F)=C(F)C=C3)N)=O)CC2)=NN1
Tpsa: 154.8
Logp: 0.9488
H Acceptors: 6
H Donors: 4
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:
C₁₆H₁₉F₅N₅O₅P
Molecular Weight:
487.32
Synonyms:
None
SMILES:
P(=O)(O)(O)O.C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=CC(F)=C(F)C=C3)N)=O)CC2)=NN1
Tpsa:
154.8
Logp:
0.9488
H Acceptors:
6
H Donors:
4
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: C₁₈H₁₉NO₆S
Molecular Weight: 377.41
Synonyms: None
SMILES: O=C(O)C=1C=CC=CC1NS(=O)(=O)C2=CC=C(OC(=O)C(C)(C)C)C=C2
Tpsa: 109.77
Logp: 3.1371
H Acceptors: 5
H Donors: 2
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:
C₁₈H₁₉NO₆S
Molecular Weight:
377.41
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=CC1NS(=O)(=O)C2=CC=C(OC(=O)C(C)(C)C)C=C2
Tpsa:
109.77
Logp:
3.1371
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₇FO₆
Molecular Weight: 372.34
Synonyms: None
SMILES: C(OC(=O)C1=CC=CC=C1)[C@@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@](C)(F)C(=O)O2
Tpsa: 78.9
Logp: 2.7226
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₇FO₆
Molecular Weight:
372.34
Synonyms:
None
SMILES:
C(OC(=O)C1=CC=CC=C1)[C@@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@](C)(F)C(=O)O2
Tpsa:
78.9
Logp:
2.7226
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₀O₈
Molecular Weight: 460.43
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@@H]2[C@@H](COC(=O)C3=CC=CC=C3)O[C@H](OC(=O)C4=CC=CC=C4)C2=O
Tpsa: 105.2
Logp: 3.22
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₀O₈
Molecular Weight:
460.43
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@@H]2[C@@H](COC(=O)C3=CC=CC=C3)O[C@H](OC(=O)C4=CC=CC=C4)C2=O
Tpsa:
105.2
Logp:
3.22
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
7