CS-1005097
Saxagliptin Impurity 30
Manufacturer: ChemScene
CAS Number: 865999-68-4
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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
C₂₂H₂₃F₆N₃O₄
Molecular Weight
507.43
Synonyms
None
SMILES
[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(C(F)(F)F)=O)C34CC5(OC(C(F)(F)F)=O)CC(C3)CC(C4)C5
Tpsa
99.5
Logp
2.99098
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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: C₂₂H₂₃F₆N₃O₄
Molecular Weight: 507.43
Synonyms: None
SMILES: [C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(C(F)(F)F)=O)C34CC5(OC(C(F)(F)F)=O)CC(C3)CC(C4)C5
Tpsa: 99.5
Logp: 2.99098
H Acceptors: 5
H Donors: 1
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:
C₂₂H₂₃F₆N₃O₄
Molecular Weight:
507.43
Synonyms:
None
SMILES:
[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(C(F)(F)F)=O)C34CC5(OC(C(F)(F)F)=O)CC(C3)CC(C4)C5
Tpsa:
99.5
Logp:
2.99098
H Acceptors:
5
H Donors:
1
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: C₁₄H₁₄N₂O₂
Molecular Weight: 242.27
Synonyms: None
SMILES: O=C(NC=1C=CC=CC1N)C2=CC=C(C=C2)CO
Tpsa: 75.35
Logp: 2.0134
H Acceptors: 3
H Donors: 3
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:
C₁₄H₁₄N₂O₂
Molecular Weight:
242.27
Synonyms:
None
SMILES:
O=C(NC=1C=CC=CC1N)C2=CC=C(C=C2)CO
Tpsa:
75.35
Logp:
2.0134
H Acceptors:
3
H Donors:
3
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: C₂₃H₂₅N₃O₉S
Molecular Weight: 519.52
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@H](C(O)=O)[C@H](C)OC2=O)([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(O)=O)=CC=C4)=O)NC3)[H]
Tpsa: 182.57
Logp: 1.643
H Acceptors: 8
H Donors: 5
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:
C₂₃H₂₅N₃O₉S
Molecular Weight:
519.52
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@H](C(O)=O)[C@H](C)OC2=O)([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(O)=O)=CC=C4)=O)NC3)[H]
Tpsa:
182.57
Logp:
1.643
H Acceptors:
8
H Donors:
5
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: C₂₉H₃₂N₄O₇S
Molecular Weight: 580.65
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(CC4=CC=C(N)C=C4)[C@H](C(NC5=CC(C(O)=O)=CC=C5)=O)C3)[H]
Tpsa: 173.5
Logp: 2.4355
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₂N₄O₇S
Molecular Weight:
580.65
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(CC4=CC=C(N)C=C4)[C@H](C(NC5=CC(C(O)=O)=CC=C5)=O)C3)[H]
Tpsa:
173.5
Logp:
2.4355
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
9