CS-1001859
Tofacitinib Impurity 97
Manufacturer: ChemScene
CAS Number: 1638499-35-0
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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
C₁₅H₁₇ClN₂O
Molecular Weight
276.76
Synonyms
None
SMILES
[Cl-].O=C(NC1=C[N+](=CC=C1C)CC=2C=CC=CC2)C
Tpsa
32.98
Logp
-0.70678
H Acceptors
1
H Donors
1
Rotatable Bonds
3
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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: C₁₅H₁₇ClN₂O
Molecular Weight: 276.76
Synonyms: None
SMILES: [Cl-].O=C(NC1=C[N+](=CC=C1C)CC=2C=CC=CC2)C
Tpsa: 32.98
Logp: -0.70678
H Acceptors: 1
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:
C₁₅H₁₇ClN₂O
Molecular Weight:
276.76
Synonyms:
None
SMILES:
[Cl-].O=C(NC1=C[N+](=CC=C1C)CC=2C=CC=CC2)C
Tpsa:
32.98
Logp:
-0.70678
H Acceptors:
1
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: C₁₅H₂₀N₂O
Molecular Weight: 244.33
Synonyms: None
SMILES: O=C(NC1=C(C)CCN(CC=2C=CC=CC2)C1)C
Tpsa: 32.34
Logp: 2.3024
H Acceptors: 2
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:
C₁₅H₂₀N₂O
Molecular Weight:
244.33
Synonyms:
None
SMILES:
O=C(NC1=C(C)CCN(CC=2C=CC=CC2)C1)C
Tpsa:
32.34
Logp:
2.3024
H Acceptors:
2
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: C₁₄H₁₈ClNO₃
Molecular Weight: 283.75
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)C(C(=O)N(OC)C)(C)C)CCl
Tpsa: 46.61
Logp: 2.4055
H Acceptors: 3
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:
C₁₄H₁₈ClNO₃
Molecular Weight:
283.75
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)C(C(=O)N(OC)C)(C)C)CCl
Tpsa:
46.61
Logp:
2.4055
H Acceptors:
3
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: C₂₈H₃₅N₃O₄
Molecular Weight: 477.60
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)C(=O)CN2CCC(C3=NC=4C=CC=CC4N3CCOCC)CC2)(C)C
Tpsa: 84.66
Logp: 4.4973
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₅N₃O₄
Molecular Weight:
477.60
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)C(=O)CN2CCC(C3=NC=4C=CC=CC4N3CCOCC)CC2)(C)C
Tpsa:
84.66
Logp:
4.4973
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10