CS-1005287
Empagliflozin Impurity 251
Manufacturer: ChemScene
CAS Number: 915095-95-3
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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
C₂₄H₂₉ClO₈
Molecular Weight
480.94
Synonyms
None
SMILES
O(C)C1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC3=CC=C(O[C@@H]4CCOC4)C=C3)=C(Cl)C=C2
Tpsa
117.84
Logp
1.3715
H Acceptors
8
H Donors
4
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
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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: C₂₄H₂₉ClO₈
Molecular Weight: 480.94
Synonyms: None
SMILES: O(C)C1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC3=CC=C(O[C@@H]4CCOC4)C=C3)=C(Cl)C=C2
Tpsa: 117.84
Logp: 1.3715
H Acceptors: 8
H Donors: 4
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:
C₂₄H₂₉ClO₈
Molecular Weight:
480.94
Synonyms:
None
SMILES:
O(C)C1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC3=CC=C(O[C@@H]4CCOC4)C=C3)=C(Cl)C=C2
Tpsa:
117.84
Logp:
1.3715
H Acceptors:
8
H Donors:
4
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: C₁₂H₁₇NO₂
Molecular Weight: 207.27
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(N)C=C1)(CC)CC
Tpsa: 63.32
Logp: 2.4112
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₇NO₂
Molecular Weight:
207.27
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(N)C=C1)(CC)CC
Tpsa:
63.32
Logp:
2.4112
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇F₃N₄O
Molecular Weight: 374.36
Synonyms: None
SMILES: O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=NC(=C2)C)C3=CC=C(C(N)=C3)C
Tpsa: 72.94
Logp: 4.34244
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇F₃N₄O
Molecular Weight:
374.36
Synonyms:
None
SMILES:
O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=NC(=C2)C)C3=CC=C(C(N)=C3)C
Tpsa:
72.94
Logp:
4.34244
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉ClN₂O
Molecular Weight: 196.63
Synonyms: None
SMILES: N#CC1=C(N=C(C(Cl)=C1C)C)OC
Tpsa: 45.91
Logp: 2.23212
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉ClN₂O
Molecular Weight:
196.63
Synonyms:
None
SMILES:
N#CC1=C(N=C(C(Cl)=C1C)C)OC
Tpsa:
45.91
Logp:
2.23212
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1