CS-1003732
Tofacitinib Impurity 250
Manufacturer: ChemScene
CAS Number: 377751-50-3
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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
C₈H₁₃ClO₄
Molecular Weight
208.64
Synonyms
None
SMILES
C([C@H](C(OCC)=O)Cl)C(OCC)=O
Tpsa
52.6
Logp
1.1101
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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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: C₈H₁₃ClO₄
Molecular Weight: 208.64
Synonyms: None
SMILES: C([C@H](C(OCC)=O)Cl)C(OCC)=O
Tpsa: 52.6
Logp: 1.1101
H Acceptors: 4
H Donors: 0
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:
C₈H₁₃ClO₄
Molecular Weight:
208.64
Synonyms:
None
SMILES:
C([C@H](C(OCC)=O)Cl)C(OCC)=O
Tpsa:
52.6
Logp:
1.1101
H Acceptors:
4
H Donors:
0
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: C₂₃H₃₁FO₅
Molecular Weight: 406.49
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])(C[C@H](C)[C@@]2(C(OCC)=O)O)[H]
Tpsa: 83.83
Logp: 2.8974
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:
C₂₃H₃₁FO₅
Molecular Weight:
406.49
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])(C[C@H](C)[C@@]2(C(OCC)=O)O)[H]
Tpsa:
83.83
Logp:
2.8974
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₄ClN₃O
Molecular Weight: 381.90
Synonyms: None
SMILES: O=C1C=2C=CC=CC2C(=NN1C3CCN(C)CCC3)CC=4C=CC=C(Cl)C4
Tpsa: 38.13
Logp: 4.2975
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₄ClN₃O
Molecular Weight:
381.90
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2C(=NN1C3CCN(C)CCC3)CC=4C=CC=C(Cl)C4
Tpsa:
38.13
Logp:
4.2975
H Acceptors:
4
H Donors:
0
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: C₂₈H₄₂O
Molecular Weight: 394.63
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@]([C@@]4(C)C(C=C3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Tpsa: 17.07
Logp: 7.3949
H Acceptors: 1
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:
C₂₈H₄₂O
Molecular Weight:
394.63
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@]([C@@]4(C)C(C=C3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Tpsa:
17.07
Logp:
7.3949
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4