CS-0370416
1-(4-(2-(5-(3-(2,4-Dihydroxy-5-isopropylphenyl)-5-hydroxy-4H-1,2,4-triazol-4-yl)-1H-indol-1-yl)ethyl)piperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
Manufacturer: ChemScene
CAS Number: None
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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
C₃₄H₃₇N₅O₅
Molecular Weight
595.69
Synonyms
None
SMILES
O=C(N1CCC(CC1)CCN2C=CC3=C2C=CC(N4C(C5=CC(C(C)C)=C(O)C=C5O)=NN=C4O)=C3)CC6=CC=C(O)C=C6
Tpsa
136.87
Logp
5.7062
H Acceptors
9
H Donors
4
Rotatable Bonds
8
Other Options
...
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: C₃₄H₃₇N₅O₅
Molecular Weight: 595.69
Synonyms: None
SMILES: O=C(N1CCC(CC1)CCN2C=CC3=C2C=CC(N4C(C5=CC(C(C)C)=C(O)C=C5O)=NN=C4O)=C3)CC6=CC=C(O)C=C6
Tpsa: 136.87
Logp: 5.7062
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₇N₅O₅
Molecular Weight:
595.69
Synonyms:
None
SMILES:
O=C(N1CCC(CC1)CCN2C=CC3=C2C=CC(N4C(C5=CC(C(C)C)=C(O)C=C5O)=NN=C4O)=C3)CC6=CC=C(O)C=C6
Tpsa:
136.87
Logp:
5.7062
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂BrNO₄
Molecular Weight: 372.25
Synonyms: N-Boc-4-bromo-L-phenylalanine ethyl ester
SMILES: BrC(C=C1)=CC=C1C[C@@H](C(OCC)=O)NC(OC(C)(C)C)=O
Tpsa: 64.63
Logp: 3.448
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂BrNO₄
Molecular Weight:
372.25
Synonyms:
N-Boc-4-bromo-L-phenylalanine ethyl ester
SMILES:
BrC(C=C1)=CC=C1C[C@@H](C(OCC)=O)NC(OC(C)(C)C)=O
Tpsa:
64.63
Logp:
3.448
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₁H₆₁NO₁₁
Molecular Weight: 743.92
Synonyms: Eribulin N-Methyl Impurity
SMILES: O=C(C[C@@H]1[C@@H](OC)[C@@H](C[C@H](O)CNC)O[C@H]1C[C@H]2O[C@@H](CC[C@H]3C(C[C@H](CC4)O3)=C)C[C@@H](C)C2=C)C[C@@H]5O[C@@]([C@H](O6)[C@H](O[C@@]7([H])[C@@H]8O[C@]64C7)[C@@H]8O9)([H])[C@]9([H])CC5
Tpsa: 132.4
Logp: 3.6987
H Acceptors: 12
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₁H₆₁NO₁₁
Molecular Weight:
743.92
Synonyms:
Eribulin N-Methyl Impurity
SMILES:
O=C(C[C@@H]1[C@@H](OC)[C@@H](C[C@H](O)CNC)O[C@H]1C[C@H]2O[C@@H](CC[C@H]3C(C[C@H](CC4)O3)=C)C[C@@H](C)C2=C)C[C@@H]5O[C@@]([C@H](O6)[C@H](O[C@@]7([H])[C@@H]8O[C@]64C7)[C@@H]8O9)([H])[C@]9([H])CC5
Tpsa:
132.4
Logp:
3.6987
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
5
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆N₄O
Molecular Weight: 150.14
Synonyms: Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-amino- (9CI)
SMILES: O=C1NC2=C(N)C=NN2C=C1
Tpsa: 76.18
Logp: -0.3952
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆N₄O
Molecular Weight:
150.14
Synonyms:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-amino- (9CI)
SMILES:
O=C1NC2=C(N)C=NN2C=C1
Tpsa:
76.18
Logp:
-0.3952
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0