CS-1003282
Tofacitinib Impurity 200
Manufacturer: ChemScene
CAS Number: 2639657-81-9
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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
C₁₆H₂₅N₅
Molecular Weight
287.40
Synonyms
None
SMILES
N(C)(C1=C2C(N(C(C)C)C=C2)=NC=N1)[C@@H]3[C@H](C)CCNC3
Tpsa
45.98
Logp
2.4464
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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: C₁₆H₂₅N₅
Molecular Weight: 287.40
Synonyms: None
SMILES: N(C)(C1=C2C(N(C(C)C)C=C2)=NC=N1)[C@@H]3[C@H](C)CCNC3
Tpsa: 45.98
Logp: 2.4464
H Acceptors: 5
H Donors: 1
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:
C₁₆H₂₅N₅
Molecular Weight:
287.40
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(C(C)C)C=C2)=NC=N1)[C@@H]3[C@H](C)CCNC3
Tpsa:
45.98
Logp:
2.4464
H Acceptors:
5
H Donors:
1
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: C₂₂H₄₃N₅O₁₂
Molecular Weight: 569.60
Synonyms: None
SMILES: O([C@@H]1[C@@H](NC([C@H](CN)O)=O)C[C@@H](N)[C@H](O[C@@H]2[C@H](O)[C@@H](NC)[C@@](C)(O)CO2)[C@H]1O)[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O
Tpsa: 297.72
Logp: -7.5244
H Acceptors: 16
H Donors: 12
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:
C₂₂H₄₃N₅O₁₂
Molecular Weight:
569.60
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](NC([C@H](CN)O)=O)C[C@@H](N)[C@H](O[C@@H]2[C@H](O)[C@@H](NC)[C@@](C)(O)CO2)[C@H]1O)[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O
Tpsa:
297.72
Logp:
-7.5244
H Acceptors:
16
H Donors:
12
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: C₁₆H₁₄N₄O₃
Molecular Weight: 310.31
Synonyms: None
SMILES: O=C(O)C1=CC(=CC=C1NN)CC2=NNC(=O)C=3C=CC=CC32
Tpsa: 121.1
Logp: 1.4977
H Acceptors: 5
H Donors: 4
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:
C₁₆H₁₄N₄O₃
Molecular Weight:
310.31
Synonyms:
None
SMILES:
O=C(O)C1=CC(=CC=C1NN)CC2=NNC(=O)C=3C=CC=CC32
Tpsa:
121.1
Logp:
1.4977
H Acceptors:
5
H Donors:
4
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: C₂₁H₂₁N₃O₄
Molecular Weight: 379.41
Synonyms: None
SMILES: O(CC)C1=C2[C@@H](C(C(O)=O)=C(C)NC2=C(C)C=N1)C3=C(OC)C=C(C#N)C=C3
Tpsa: 104.47
Logp: 3.585
H Acceptors: 6
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:
C₂₁H₂₁N₃O₄
Molecular Weight:
379.41
Synonyms:
None
SMILES:
O(CC)C1=C2[C@@H](C(C(O)=O)=C(C)NC2=C(C)C=N1)C3=C(OC)C=C(C#N)C=C3
Tpsa:
104.47
Logp:
3.585
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5