CS-1002586
Tofacitinib Impurity 238
Manufacturer: ChemScene
CAS Number: 2106832-56-6
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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
C₁₄H₂₀N₂
Molecular Weight
216.32
Synonyms
None
SMILES
N(=C1CN(CC=2C=CC=CC2)CCC1C)C
Tpsa
15.6
Logp
2.5992
H Acceptors
2
H Donors
0
Rotatable Bonds
2
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₄H₂₀N₂
Molecular Weight: 216.32
Synonyms: None
SMILES: N(=C1CN(CC=2C=CC=CC2)CCC1C)C
Tpsa: 15.6
Logp: 2.5992
H Acceptors: 2
H Donors: 0
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:
C₁₄H₂₀N₂
Molecular Weight:
216.32
Synonyms:
None
SMILES:
N(=C1CN(CC=2C=CC=CC2)CCC1C)C
Tpsa:
15.6
Logp:
2.5992
H Acceptors:
2
H Donors:
0
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: C₁₈H₂₈O₂
Molecular Weight: 276.41
Synonyms: None
SMILES: C[C@@]12[C@@]([C@@H](/C=C/[C@@H](O)C3CC3)C)(CC[C@]1(C(=O)CCC2)[H])[H]
Tpsa: 37.3
Logp: 3.7351
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₈O₂
Molecular Weight:
276.41
Synonyms:
None
SMILES:
C[C@@]12[C@@]([C@@H](/C=C/[C@@H](O)C3CC3)C)(CC[C@]1(C(=O)CCC2)[H])[H]
Tpsa:
37.3
Logp:
3.7351
H Acceptors:
2
H Donors:
1
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: C₁₄H₁₉N₃O
Molecular Weight: 245.32
Synonyms: None
SMILES: N#CCCN1CCN(C=2C=CC=CC2OC)CC1
Tpsa: 39.5
Logp: 1.73088
H Acceptors: 4
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:
C₁₄H₁₉N₃O
Molecular Weight:
245.32
Synonyms:
None
SMILES:
N#CCCN1CCN(C=2C=CC=CC2OC)CC1
Tpsa:
39.5
Logp:
1.73088
H Acceptors:
4
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: C₁₅H₁₆N₂O₆
Molecular Weight: 320.30
Synonyms: None
SMILES: O=C1OC(OC(=O)C1=CNC2=CC=C(C(=O)N)C(OC)=C2)(C)C
Tpsa: 116.95
Logp: 0.926
H Acceptors: 7
H Donors: 2
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:
C₁₅H₁₆N₂O₆
Molecular Weight:
320.30
Synonyms:
None
SMILES:
O=C1OC(OC(=O)C1=CNC2=CC=C(C(=O)N)C(OC)=C2)(C)C
Tpsa:
116.95
Logp:
0.926
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
4