CS-0092581
3-Methoxy-4-((4-((3-oxo-2,3-dihydro-1H-inden-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzoic acid
Manufacturer: ChemScene
CAS Number: 1227948-58-4
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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
C₂₂H₁₆F₃N₃O₅
Molecular Weight
459.37
Synonyms
None
SMILES
O=C(O)C1=CC=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC(CC4)=C3C4=O)=N2)C(OC)=C1
Tpsa
110.64
Logp
4.867
H Acceptors
7
H Donors
2
Rotatable Bonds
6
SAFETY INFORMATION
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: C₂₂H₁₆F₃N₃O₅
Molecular Weight: 459.37
Synonyms: None
SMILES: O=C(O)C1=CC=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC(CC4)=C3C4=O)=N2)C(OC)=C1
Tpsa: 110.64
Logp: 4.867
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:
C₂₂H₁₆F₃N₃O₅
Molecular Weight:
459.37
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC(CC4)=C3C4=O)=N2)C(OC)=C1
Tpsa:
110.64
Logp:
4.867
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD09025922
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₄N₂O₂S
Molecular Weight: 190.26
Synonyms: Thiocarbamoylmethyl-carbamic acid tert-butyl ester
SMILES: O=C(OC(C)(C)C)NCC(N)=S
Tpsa: 64.35
Logp: 0.7972
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD09025922
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₄N₂O₂S
Molecular Weight:
190.26
Synonyms:
Thiocarbamoylmethyl-carbamic acid tert-butyl ester
SMILES:
O=C(OC(C)(C)C)NCC(N)=S
Tpsa:
64.35
Logp:
0.7972
H Acceptors:
3
H Donors:
2
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: C₃₄H₆₂O₃Si₂
Molecular Weight: 575.03
Synonyms: None
SMILES: C=C([C@@H](O[Si](C)(C(C)(C)C)C)C[C@H](O[Si](C)(C(C)(C)C)C)C/1)C1=C\C=C2CCC[C@@]3(C)[C@@]/2([H])CC[C@]3([H])[C@@H](C)CO
Tpsa: 38.69
Logp: 9.8148
H Acceptors: 3
H Donors: 1
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:
C₃₄H₆₂O₃Si₂
Molecular Weight:
575.03
Synonyms:
None
SMILES:
C=C([C@@H](O[Si](C)(C(C)(C)C)C)C[C@H](O[Si](C)(C(C)(C)C)C)C/1)C1=C\C=C2CCC[C@@]3(C)[C@@]/2([H])CC[C@]3([H])[C@@H](C)CO
Tpsa:
38.69
Logp:
9.8148
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₄₃F₃O₁₂S
Molecular Weight: 648.68
Synonyms: None
SMILES: O=C(C(C)(C)C)OC[C@H](OS(C(F)(F)F)(=O)=O)[C@@]1([H])[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)C)=O)O1
Tpsa: 157.8
Logp: 4.0405
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₄₃F₃O₁₂S
Molecular Weight:
648.68
Synonyms:
None
SMILES:
O=C(C(C)(C)C)OC[C@H](OS(C(F)(F)F)(=O)=O)[C@@]1([H])[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)C)=O)O1
Tpsa:
157.8
Logp:
4.0405
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
8