CS-1003117
Tofacitinib Impurity 162
Manufacturer: ChemScene
CAS Number: 2459302-88-4
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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
C₂₀H₂₉N₅O₃
Molecular Weight
387.48
Synonyms
None
SMILES
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CC(OC(C)(C)C)=O)=O)CC[C@H]3C
Tpsa
91.42
Logp
2.3629
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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: C₂₀H₂₉N₅O₃
Molecular Weight: 387.48
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CC(OC(C)(C)C)=O)=O)CC[C@H]3C
Tpsa: 91.42
Logp: 2.3629
H Acceptors: 6
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:
C₂₀H₂₉N₅O₃
Molecular Weight:
387.48
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CC(OC(C)(C)C)=O)=O)CC[C@H]3C
Tpsa:
91.42
Logp:
2.3629
H Acceptors:
6
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: C₁₆H₂₀ClNO₃
Molecular Weight: 309.79
Synonyms: None
SMILES: C(CCl)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa: 46.61
Logp: 3.0891
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₀ClNO₃
Molecular Weight:
309.79
Synonyms:
None
SMILES:
C(CCl)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa:
46.61
Logp:
3.0891
H Acceptors:
3
H Donors:
0
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: C₂₄H₃₈O₄
Molecular Weight: 390.56
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])=C[C@H]1O)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa: 77.76
Logp: 4.398
H Acceptors: 3
H Donors: 3
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:
C₂₄H₃₈O₄
Molecular Weight:
390.56
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])=C[C@H]1O)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa:
77.76
Logp:
4.398
H Acceptors:
3
H Donors:
3
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: C₃₀H₁₈Br₂N₂O₄
Molecular Weight: 630.28
Synonyms: None
SMILES: O=C(C1=CC=C(Br)C=C1)C2=CC=CC3=C2NC(=O)C3C4C(=O)NC=5C(=CC=CC54)C(=O)C6=CC=C(Br)C=C6
Tpsa: 92.34
Logp: 6.4452
H Acceptors: 4
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:
C₃₀H₁₈Br₂N₂O₄
Molecular Weight:
630.28
Synonyms:
None
SMILES:
O=C(C1=CC=C(Br)C=C1)C2=CC=CC3=C2NC(=O)C3C4C(=O)NC=5C(=CC=CC54)C(=O)C6=CC=C(Br)C=C6
Tpsa:
92.34
Logp:
6.4452
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5