CS-0018784
(S)-Sitagliptin (phosphate)
Manufacturer: ChemScene
CAS Number: 823817-58-9
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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
C₁₆H₁₈F₆N₅O₅P
Molecular Weight
505.31
Synonyms
(S)-MK-0431 (phosphate)
SMILES
O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)C[C@@H](N)CC3=CC(F)=C(F)C=C3F.O=P(O)(O)O
Tpsa
154.8
Logp
1.0879
H Acceptors
6
H Donors
4
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Sitagliptin Impurity A | Supelco | ₹ 70,449.10 | |
 | 823817-58-9 | (S)-Sitagliptin Phosphate | A2B Chem | ₹ 1,04,982.12 |
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SAFETY INFORMATION
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: C₁₆H₁₈F₆N₅O₅P
Molecular Weight: 505.31
Synonyms: (S)-MK-0431 (phosphate)
SMILES: O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)C[C@@H](N)CC3=CC(F)=C(F)C=C3F.O=P(O)(O)O
Tpsa: 154.8
Logp: 1.0879
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:
C₁₆H₁₈F₆N₅O₅P
Molecular Weight:
505.31
Synonyms:
(S)-MK-0431 (phosphate)
SMILES:
O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)C[C@@H](N)CC3=CC(F)=C(F)C=C3F.O=P(O)(O)O
Tpsa:
154.8
Logp:
1.0879
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: C₁₇H₂₆O₃
Molecular Weight: 278.39
Synonyms: None
SMILES: OC1=C(C(C)(C)C)C=C(C2OCCO2)C=C1C(C)(C)C
Tpsa: 38.69
Logp: 4.0326
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₆O₃
Molecular Weight:
278.39
Synonyms:
None
SMILES:
OC1=C(C(C)(C)C)C=C(C2OCCO2)C=C1C(C)(C)C
Tpsa:
38.69
Logp:
4.0326
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆ClNO₂
Molecular Weight: 253.72
Synonyms: None
SMILES: ClC1=C(C2C(C2)C)C=C(NC(C)=O)C(OC)=C1
Tpsa: 38.33
Logp: 3.4304
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:
C₁₃H₁₆ClNO₂
Molecular Weight:
253.72
Synonyms:
None
SMILES:
ClC1=C(C2C(C2)C)C=C(NC(C)=O)C(OC)=C1
Tpsa:
38.33
Logp:
3.4304
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: C₁₃H₉NO₅
Molecular Weight: 259.21
Synonyms: None
SMILES: O=C(NC(C(C1OC21)=O)=CC2=O)C3=CC=CC=C3O
Tpsa: 96
Logp: -0.0749
H Acceptors: 5
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:
C₁₃H₉NO₅
Molecular Weight:
259.21
Synonyms:
None
SMILES:
O=C(NC(C(C1OC21)=O)=CC2=O)C3=CC=CC=C3O
Tpsa:
96
Logp:
-0.0749
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2