CS-1005323
Tofacitinib Impurity 61
Manufacturer: ChemScene
CAS Number: 923036-28-6
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Weight
260.33
Synonyms
None
SMILES
O=C(OC)NC1=C(C)CCN(CC=2C=CC=CC2)C1
Tpsa
41.57
Logp
2.5223
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₀N₂O₂
Molecular Weight: 260.33
Synonyms: None
SMILES: O=C(OC)NC1=C(C)CCN(CC=2C=CC=CC2)C1
Tpsa: 41.57
Logp: 2.5223
H Acceptors: 3
H Donors: 1
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:
C₁₅H₂₀N₂O₂
Molecular Weight:
260.33
Synonyms:
None
SMILES:
O=C(OC)NC1=C(C)CCN(CC=2C=CC=CC2)C1
Tpsa:
41.57
Logp:
2.5223
H Acceptors:
3
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: C₂₈H₄₃N₅O₉S₂
Molecular Weight: 657.80
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])(CC1SCCNC=N)[H].C(N/C(=C\CCCCSC[C@@H](C(O)=O)N)/C(O)=O)(=O)[C@@H]1C(C)(C)C1
Tpsa: 243.44
Logp: 1.25657
H Acceptors: 10
H Donors: 8
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₃N₅O₉S₂
Molecular Weight:
657.80
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])(CC1SCCNC=N)[H].C(N/C(=C\CCCCSC[C@@H](C(O)=O)N)/C(O)=O)(=O)[C@@H]1C(C)(C)C1
Tpsa:
243.44
Logp:
1.25657
H Acceptors:
10
H Donors:
8
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀O₄
Molecular Weight: 158.15
Synonyms: None
SMILES: C(/C=C\C(O)=O)(OC(C)C)=O
Tpsa: 63.6
Logp: 0.5788
H Acceptors: 3
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:
C₇H₁₀O₄
Molecular Weight:
158.15
Synonyms:
None
SMILES:
C(/C=C\C(O)=O)(OC(C)C)=O
Tpsa:
63.6
Logp:
0.5788
H Acceptors:
3
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: C₁₄H₁₉NO₂
Molecular Weight: 233.31
Synonyms: None
SMILES: O=C(OC=1C=CC=CC1)CCN2CCCCC2
Tpsa: 29.54
Logp: 2.468
H Acceptors: 3
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:
C₁₄H₁₉NO₂
Molecular Weight:
233.31
Synonyms:
None
SMILES:
O=C(OC=1C=CC=CC1)CCN2CCCCC2
Tpsa:
29.54
Logp:
2.468
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4