CS-1005385
Ruxolitinib Impurity 16
Manufacturer: ChemScene
CAS Number: 941678-60-0
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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
C₁₇H₁₆N₆
Molecular Weight
304.35
Synonyms
None
SMILES
N#CCC(=C1CCCC1)N2N=CC(=C2)C=3N=CN=C4NC=CC43
Tpsa
83.18
Logp
3.52018
H Acceptors
5
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆N₆
Molecular Weight: 304.35
Synonyms: None
SMILES: N#CCC(=C1CCCC1)N2N=CC(=C2)C=3N=CN=C4NC=CC43
Tpsa: 83.18
Logp: 3.52018
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:
C₁₇H₁₆N₆
Molecular Weight:
304.35
Synonyms:
None
SMILES:
N#CCC(=C1CCCC1)N2N=CC(=C2)C=3N=CN=C4NC=CC43
Tpsa:
83.18
Logp:
3.52018
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: C₂₃H₃₂N₆OSi
Molecular Weight: 436.63
Synonyms: None
SMILES: C(OCC[Si](C)(C)C)N1C=2C(=C(N=CN2)C3=CN([C@@H](CC#N)C4CCCC4)N=C3)C=C1
Tpsa: 81.55
Logp: 5.25208
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂N₆OSi
Molecular Weight:
436.63
Synonyms:
None
SMILES:
C(OCC[Si](C)(C)C)N1C=2C(=C(N=CN2)C3=CN([C@@H](CC#N)C4CCCC4)N=C3)C=C1
Tpsa:
81.55
Logp:
5.25208
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₇ClF₂O₄
Molecular Weight: 288.63
Synonyms: None
SMILES: O=C(OCC)C1=COC2=C(Cl)C(F)=C(F)C=C2C1=O
Tpsa: 56.51
Logp: 2.9013
H Acceptors: 4
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:
C₁₂H₇ClF₂O₄
Molecular Weight:
288.63
Synonyms:
None
SMILES:
O=C(OCC)C1=COC2=C(Cl)C(F)=C(F)C=C2C1=O
Tpsa:
56.51
Logp:
2.9013
H Acceptors:
4
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: C₁₆H₂₂N₂O₃
Molecular Weight: 290.36
Synonyms: None
SMILES: [C@H]([C@@H](NC(C)C)CC)(O)C1=C2C(=C(O)C=C1)NC(=O)C=C2
Tpsa: 85.35
Logp: 2.0437
H Acceptors: 4
H Donors: 4
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:
C₁₆H₂₂N₂O₃
Molecular Weight:
290.36
Synonyms:
None
SMILES:
[C@H]([C@@H](NC(C)C)CC)(O)C1=C2C(=C(O)C=C1)NC(=O)C=C2
Tpsa:
85.35
Logp:
2.0437
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
5