CS-0614416
1,3-Bis(4-cyano-3-(trifluoromethyl)phenyl)urea Enzalutamide Impurity
Manufacturer: ChemScene
CAS Number: 1895865-11-8
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Purity
98%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₈F₆N₄O
Molecular Weight
398.26
Synonyms
None
SMILES
N#CC1=CC=C(NC(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C=C1C(F)(F)F
Tpsa
88.71
Logp
5.11156
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₈F₆N₄O
Molecular Weight: 398.26
Synonyms: None
SMILES: N#CC1=CC=C(NC(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C=C1C(F)(F)F
Tpsa: 88.71
Logp: 5.11156
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₈F₆N₄O
Molecular Weight:
398.26
Synonyms:
None
SMILES:
N#CC1=CC=C(NC(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C=C1C(F)(F)F
Tpsa:
88.71
Logp:
5.11156
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇ClN₂O₄
Molecular Weight: 372.80
Synonyms: None
SMILES: OC([C@H]1CC2=C(NC3=CC=CC=C32)[C@](C4=CC=C(OCO5)C5=C4)([H])N1)=O.Cl
Tpsa: 83.58
Logp: 3.0067
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇ClN₂O₄
Molecular Weight:
372.80
Synonyms:
None
SMILES:
OC([C@H]1CC2=C(NC3=CC=CC=C32)[C@](C4=CC=C(OCO5)C5=C4)([H])N1)=O.Cl
Tpsa:
83.58
Logp:
3.0067
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₉N₃O₃
Molecular Weight: 349.38
Synonyms: None
SMILES: O=C([C@H]1CC2=C([C@H](C3=CC=C(OCO4)C4=C3)N1)NC5=C2C=CC=C5)NC
Tpsa: 75.38
Logp: 2.2463
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₉N₃O₃
Molecular Weight:
349.38
Synonyms:
None
SMILES:
O=C([C@H]1CC2=C([C@H](C3=CC=C(OCO4)C4=C3)N1)NC5=C2C=CC=C5)NC
Tpsa:
75.38
Logp:
2.2463
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₇F₃N₂OS
Molecular Weight: 260.24
Synonyms: None
SMILES: S=C(OC)NC1=CC=C(C#N)C(C(F)(F)F)=C1
Tpsa: 45.05
Logp: 2.92028
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇F₃N₂OS
Molecular Weight:
260.24
Synonyms:
None
SMILES:
S=C(OC)NC1=CC=C(C#N)C(C(F)(F)F)=C1
Tpsa:
45.05
Logp:
2.92028
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1