CS-1002814
Empagliflozin Impurity 212
Manufacturer: ChemScene
CAS Number: 2242891-20-7
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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
C₂₂H₂₅ClO₇
Molecular Weight
436.88
Synonyms
None
SMILES
O[C@@H]1[C@]2(O[C@](CO)(CO2)[C@H](O)[C@H]1O)C3=CC(CC4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa
108.61
Logp
1.3565
H Acceptors
7
H Donors
4
Rotatable Bonds
6
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
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: C₂₂H₂₅ClO₇
Molecular Weight: 436.88
Synonyms: None
SMILES: O[C@@H]1[C@]2(O[C@](CO)(CO2)[C@H](O)[C@H]1O)C3=CC(CC4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa: 108.61
Logp: 1.3565
H Acceptors: 7
H Donors: 4
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:
C₂₂H₂₅ClO₇
Molecular Weight:
436.88
Synonyms:
None
SMILES:
O[C@@H]1[C@]2(O[C@](CO)(CO2)[C@H](O)[C@H]1O)C3=CC(CC4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa:
108.61
Logp:
1.3565
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₀N₂O₃
Molecular Weight: 300.35
Synonyms: None
SMILES: C([C@@H]1N(C([C@H](CCC)CC#N)=O)C(=O)OC1)C2=CC=CC=C2
Tpsa: 70.4
Logp: 2.90648
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₀N₂O₃
Molecular Weight:
300.35
Synonyms:
None
SMILES:
C([C@@H]1N(C([C@H](CCC)CC#N)=O)C(=O)OC1)C2=CC=CC=C2
Tpsa:
70.4
Logp:
2.90648
H Acceptors:
4
H Donors:
0
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: C₃₂H₃₄N₂S₂
Molecular Weight: 510.76
Synonyms: None
SMILES: S(C=1C=CC=CC1N2CCN(C=3C=CC=CC3SC4=CC=C(C=C4C)C)CC2)C5=CC=C(C=C5C)C
Tpsa: 6.48
Logp: 8.54928
H Acceptors: 4
H Donors: 0
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:
C₃₂H₃₄N₂S₂
Molecular Weight:
510.76
Synonyms:
None
SMILES:
S(C=1C=CC=CC1N2CCN(C=3C=CC=CC3SC4=CC=C(C=C4C)C)CC2)C5=CC=C(C=C5C)C
Tpsa:
6.48
Logp:
8.54928
H Acceptors:
4
H Donors:
0
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: C₃₄H₃₅FO₁₁S
Molecular Weight: 670.70
Synonyms: None
SMILES: O(C(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)C2=CC(CC=3SC(=CC3)C4=CC=C(F)C=C4)=C(C)C=C2
Tpsa: 140.73
Logp: 4.92632
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₅FO₁₁S
Molecular Weight:
670.70
Synonyms:
None
SMILES:
O(C(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)C2=CC(CC=3SC(=CC3)C4=CC=C(F)C=C4)=C(C)C=C2
Tpsa:
140.73
Logp:
4.92632
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
10