CS-1002905
Tofacitinib Impurity 108
Manufacturer: ChemScene
CAS Number: 2282653-53-4
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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
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
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: 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
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆N₄O
Molecular Weight: 304.35
Synonyms: None
SMILES: [O-]C=1C=C[N+](C2=NC3=CC=C(C=C3N2)N4C=CC=C4)=C(C1C)C
Tpsa: 60.55
Logp: 2.32074
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₆N₄O
Molecular Weight:
304.35
Synonyms:
None
SMILES:
[O-]C=1C=C[N+](C2=NC3=CC=C(C=C3N2)N4C=CC=C4)=C(C1C)C
Tpsa:
60.55
Logp:
2.32074
H Acceptors:
3
H Donors:
1
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: C₂₁H₂₄F₂O₄
Molecular Weight: 378.41
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(CC1=O)[C@@H](C(CO)=O)CC3)[H])(C[C@H](F)C=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 71.44
Logp: 2.691
H Acceptors: 4
H Donors: 1
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:
C₂₁H₂₄F₂O₄
Molecular Weight:
378.41
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(CC1=O)[C@@H](C(CO)=O)CC3)[H])(C[C@H](F)C=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
71.44
Logp:
2.691
H Acceptors:
4
H Donors:
1
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: C₁₅H₁₄O₆
Molecular Weight: 290.27
Synonyms: None
SMILES: C(O)(=O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=CC=C3)(OC(=O)C2)[H])[H]
Tpsa: 89.9
Logp: 1.2482
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:
C₁₅H₁₄O₆
Molecular Weight:
290.27
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=CC=C3)(OC(=O)C2)[H])[H]
Tpsa:
89.9
Logp:
1.2482
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3