CS-1005391
Crisaborole Impurity 116
Manufacturer: ChemScene
CAS Number: 943311-78-2
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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
C₁₉H₁₈BrNO₃
Molecular Weight
388.26
Synonyms
None
SMILES
N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC3OCCCC3)C=C1
Tpsa
51.48
Logp
5.15628
H Acceptors
4
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 4-(4-bromo-3-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenoxy)benzonitrile | Aaron Chemicals LLC | -- | |
 | 943311-78-2 | 4-(4-bromo-3-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenoxy)benzonitrile | A2B Chem | -- |
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: C₁₉H₁₈BrNO₃
Molecular Weight: 388.26
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC3OCCCC3)C=C1
Tpsa: 51.48
Logp: 5.15628
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:
C₁₉H₁₈BrNO₃
Molecular Weight:
388.26
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC3OCCCC3)C=C1
Tpsa:
51.48
Logp:
5.15628
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: C₁₆H₁₄F₃N₅O₂
Molecular Weight: 365.31
Synonyms: None
SMILES: [C@@]([C@@H](CO)C=1C(F)=CN=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3
Tpsa: 96.95
Logp: 1.1493
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄F₃N₅O₂
Molecular Weight:
365.31
Synonyms:
None
SMILES:
[C@@]([C@@H](CO)C=1C(F)=CN=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3
Tpsa:
96.95
Logp:
1.1493
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₅ClN₂O₄
Molecular Weight: 344.83
Synonyms: None
SMILES: Cl.O=C(N1CCN(CC2=CC=C(OC)C(OC)=C2OC)CC1)C
Tpsa: 51.24
Logp: 1.7983
H Acceptors: 5
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:
C₁₆H₂₅ClN₂O₄
Molecular Weight:
344.83
Synonyms:
None
SMILES:
Cl.O=C(N1CCN(CC2=CC=C(OC)C(OC)=C2OC)CC1)C
Tpsa:
51.24
Logp:
1.7983
H Acceptors:
5
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: C₁₉H₂₁N₇O₆
Molecular Weight: 443.41
Synonyms: None
SMILES: O=C1C2=C(N=CC(CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)N2)NC(N)=N1
Tpsa: 211.89
Logp: 0.0084
H Acceptors: 9
H Donors: 7
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:
C₁₉H₂₁N₇O₆
Molecular Weight:
443.41
Synonyms:
None
SMILES:
O=C1C2=C(N=CC(CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)N2)NC(N)=N1
Tpsa:
211.89
Logp:
0.0084
H Acceptors:
9
H Donors:
7
Rotatable Bonds:
9