CS-1002902
Tofacitinib Impurity 212
Manufacturer: ChemScene
CAS Number: 2280085-84-7
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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
C₃₀H₄₁N₁₁O₂
Molecular Weight
587.72
Synonyms
None
SMILES
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CNCC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=O)CC[C@H]3C
Tpsa
142.27
Logp
1.8654
H Acceptors
9
H Donors
3
Rotatable Bonds
8
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: C₃₀H₄₁N₁₁O₂
Molecular Weight: 587.72
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CNCC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=O)CC[C@H]3C
Tpsa: 142.27
Logp: 1.8654
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₁N₁₁O₂
Molecular Weight:
587.72
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CNCC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=O)CC[C@H]3C
Tpsa:
142.27
Logp:
1.8654
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₂O₃
Molecular Weight: 202.29
Synonyms: None
SMILES: O=C(OCC)C(C)(C)CCCCCO
Tpsa: 46.53
Logp: 2.1284
H Acceptors: 3
H Donors: 1
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:
C₁₁H₂₂O₃
Molecular Weight:
202.29
Synonyms:
None
SMILES:
O=C(OCC)C(C)(C)CCCCCO
Tpsa:
46.53
Logp:
2.1284
H Acceptors:
3
H Donors:
1
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: C₂₂H₂₇FO₅
Molecular Weight: 390.45
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(CC1=O)[C@](C(CO)=O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 91.67
Logp: 2.1039
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇FO₅
Molecular Weight:
390.45
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(CC1=O)[C@](C(CO)=O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
91.67
Logp:
2.1039
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉ClN₄
Molecular Weight: 196.64
Synonyms: None
SMILES: ClC=1N=C2NC=CC2=C(N1)N(C)C
Tpsa: 44.81
Logp: 1.6773
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉ClN₄
Molecular Weight:
196.64
Synonyms:
None
SMILES:
ClC=1N=C2NC=CC2=C(N1)N(C)C
Tpsa:
44.81
Logp:
1.6773
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1