CS-1000156
Tofacitinib Impurity 257
Manufacturer: ChemScene
CAS Number: 1011723-46-8
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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
C₁₆H₂₃N₅O₂
Molecular Weight
317.39
Synonyms
None
SMILES
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(COC)=O)CC[C@H]3C
Tpsa
74.35
Logp
1.2775
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: C₁₆H₂₃N₅O₂
Molecular Weight: 317.39
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(COC)=O)CC[C@H]3C
Tpsa: 74.35
Logp: 1.2775
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:
C₁₆H₂₃N₅O₂
Molecular Weight:
317.39
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(COC)=O)CC[C@H]3C
Tpsa:
74.35
Logp:
1.2775
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: C₁₃H₁₈N₂
Molecular Weight: 202.30
Synonyms: None
SMILES: N#CC(C=1C=CC=CC1)CC(N(C)C)C
Tpsa: 27.03
Logp: 2.63398
H Acceptors: 2
H Donors: 0
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:
C₁₃H₁₈N₂
Molecular Weight:
202.30
Synonyms:
None
SMILES:
N#CC(C=1C=CC=CC1)CC(N(C)C)C
Tpsa:
27.03
Logp:
2.63398
H Acceptors:
2
H Donors:
0
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: C₃₁H₅₃NO₂₃
Molecular Weight: 807.75
Synonyms: None
SMILES: O([C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H]3O[C@H](CO)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](N[C@H]5C=C(CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@H](O)[C@H]3O
Tpsa: 400.32
Logp: -10.7403
H Acceptors: 24
H Donors: 17
Rotatable Bonds: 12
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₅₃NO₂₃
Molecular Weight:
807.75
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H]3O[C@H](CO)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](N[C@H]5C=C(CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@H](O)[C@H]3O
Tpsa:
400.32
Logp:
-10.7403
H Acceptors:
24
H Donors:
17
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₉NO
Molecular Weight: 311.46
Synonyms: None
SMILES: O(CCC=1C=CC=CC1)CCCCCCNCC=2C=CC=CC2
Tpsa: 21.26
Logp: 4.5959
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₉NO
Molecular Weight:
311.46
Synonyms:
None
SMILES:
O(CCC=1C=CC=CC1)CCCCCCNCC=2C=CC=CC2
Tpsa:
21.26
Logp:
4.5959
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
12