CS-1003288
Tofacitinib Impurity 198
Manufacturer: ChemScene
CAS Number: 2641343-91-9
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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
C₂₁H₂₇N₅
Molecular Weight
349.47
Synonyms
None
SMILES
N(C)(C1=C2C(N(C)C=C2)=NC=N1)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C
Tpsa
37.19
Logp
3.3151
H Acceptors
5
H Donors
0
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: C₂₁H₂₇N₅
Molecular Weight: 349.47
Synonyms: None
SMILES: N(C)(C1=C2C(N(C)C=C2)=NC=N1)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C
Tpsa: 37.19
Logp: 3.3151
H Acceptors: 5
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:
C₂₁H₂₇N₅
Molecular Weight:
349.47
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(C)C=C2)=NC=N1)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C
Tpsa:
37.19
Logp:
3.3151
H Acceptors:
5
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: C₂₄H₂₇ClFN₅O₅S
Molecular Weight: 552.02
Synonyms: None
SMILES: O=C(NC1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1OC)CC(CN4CCCCC4)S(=O)(=O)O
Tpsa: 133.75
Logp: 4.2454
H Acceptors: 8
H Donors: 3
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:
C₂₄H₂₇ClFN₅O₅S
Molecular Weight:
552.02
Synonyms:
None
SMILES:
O=C(NC1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1OC)CC(CN4CCCCC4)S(=O)(=O)O
Tpsa:
133.75
Logp:
4.2454
H Acceptors:
8
H Donors:
3
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: C₃₉H₃₅Cl₂N₃O₁₀S₂
Molecular Weight: 840.75
Synonyms: None
SMILES: ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(N[C@@H](CC6=CC(S(C)(=O)=O)=CC=C6)C(O)=O)=O)=O
Tpsa: 197.23
Logp: 4.8983
H Acceptors: 9
H Donors: 3
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:
C₃₉H₃₅Cl₂N₃O₁₀S₂
Molecular Weight:
840.75
Synonyms:
None
SMILES:
ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(N[C@@H](CC6=CC(S(C)(=O)=O)=CC=C6)C(O)=O)=O)=O
Tpsa:
197.23
Logp:
4.8983
H Acceptors:
9
H Donors:
3
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: C₂₃H₂₇F₇N₆O₈S₂
Molecular Weight: 712.61
Synonyms: None
SMILES: O=S(=O)(C1=NOC(C)(C)C1)CC2=C(OC(F)OC3=C(C(=NN3C)C(F)(F)F)CS(=O)(=O)C4=NOC(C)(C)C4)N(N=C2C(F)(F)F)C
Tpsa: 165.56
Logp: 3.7565
H Acceptors: 14
H Donors: 0
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:
C₂₃H₂₇F₇N₆O₈S₂
Molecular Weight:
712.61
Synonyms:
None
SMILES:
O=S(=O)(C1=NOC(C)(C)C1)CC2=C(OC(F)OC3=C(C(=NN3C)C(F)(F)F)CS(=O)(=O)C4=NOC(C)(C)C4)N(N=C2C(F)(F)F)C
Tpsa:
165.56
Logp:
3.7565
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
8