CS-1002784
Crisaborole Impurity 66
Manufacturer: ChemScene
CAS Number: 2227126-13-6
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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
C₂₂H₂₄BNO₅
Molecular Weight
393.24
Synonyms
None
SMILES
N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)COC(=O)C)C=C1
Tpsa
77.78
Logp
3.71288
H Acceptors
6
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2227126-13-6 | 4-[3-[(Acetyloxy)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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: C₂₂H₂₄BNO₅
Molecular Weight: 393.24
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)COC(=O)C)C=C1
Tpsa: 77.78
Logp: 3.71288
H Acceptors: 6
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:
C₂₂H₂₄BNO₅
Molecular Weight:
393.24
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)COC(=O)C)C=C1
Tpsa:
77.78
Logp:
3.71288
H Acceptors:
6
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: C₂₉H₁₉F₈N₃O₆
Molecular Weight: 657.46
Synonyms: None
SMILES: C(/C(=C/NC=1N=C(N/C=C(/C(=O)C2=C(F)C=C(F)C(F)=C2)\C(OCC)=O)C(F)=CC1F)/C(OCC)=O)(=O)C3=C(F)C=C(F)C(F)=C3
Tpsa: 123.69
Logp: 5.678
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₁₉F₈N₃O₆
Molecular Weight:
657.46
Synonyms:
None
SMILES:
C(/C(=C/NC=1N=C(N/C=C(/C(=O)C2=C(F)C=C(F)C(F)=C2)\C(OCC)=O)C(F)=CC1F)/C(OCC)=O)(=O)C3=C(F)C=C(F)C(F)=C3
Tpsa:
123.69
Logp:
5.678
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₁ClF₅N₃O₃
Molecular Weight: 435.73
Synonyms: None
SMILES: C(/C(=C/NC1=C(F)C=C(F)C(N)=N1)/C(OCC)=O)(=O)C2=C(F)C(Cl)=C(F)C(F)=C2
Tpsa: 94.31
Logp: 3.7545
H Acceptors: 6
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:
C₁₇H₁₁ClF₅N₃O₃
Molecular Weight:
435.73
Synonyms:
None
SMILES:
C(/C(=C/NC1=C(F)C=C(F)C(N)=N1)/C(OCC)=O)(=O)C2=C(F)C(Cl)=C(F)C(F)=C2
Tpsa:
94.31
Logp:
3.7545
H Acceptors:
6
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: C₂₁H₂₁F₂N₃O₅
Molecular Weight: 433.41
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa: 102.04
Logp: 1.6214
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁F₂N₃O₅
Molecular Weight:
433.41
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa:
102.04
Logp:
1.6214
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
7