CS-1001060
Apalutamide Impurity 61
Manufacturer: ChemScene
CAS Number: 1332388-83-6
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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
C₂₂H₁₆F₄N₄O₃S
Molecular Weight
492.45
Synonyms
None
SMILES
N#CC1=NC=C(C=C1C(F)(F)F)N2C(=O)C3(N(C4=CC=C(C(=O)OCC)C(F)=C4)C2=S)CCC3
Tpsa
86.53
Logp
4.34868
H Acceptors
6
H Donors
0
Rotatable Bonds
4
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: C₂₂H₁₆F₄N₄O₃S
Molecular Weight: 492.45
Synonyms: None
SMILES: N#CC1=NC=C(C=C1C(F)(F)F)N2C(=O)C3(N(C4=CC=C(C(=O)OCC)C(F)=C4)C2=S)CCC3
Tpsa: 86.53
Logp: 4.34868
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₆F₄N₄O₃S
Molecular Weight:
492.45
Synonyms:
None
SMILES:
N#CC1=NC=C(C=C1C(F)(F)F)N2C(=O)C3(N(C4=CC=C(C(=O)OCC)C(F)=C4)C2=S)CCC3
Tpsa:
86.53
Logp:
4.34868
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₉N₃O₈
Molecular Weight: 509.59
Synonyms: None
SMILES: C(CC(OC[C@@H]1OC(C)(C)OC1)=O)C2=CC=C(OC[C@H](CNCCNC(=O)N3CCOCC3)O)C=C2
Tpsa: 127.82
Logp: 0.685
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₉N₃O₈
Molecular Weight:
509.59
Synonyms:
None
SMILES:
C(CC(OC[C@@H]1OC(C)(C)OC1)=O)C2=CC=C(OC[C@H](CNCCNC(=O)N3CCOCC3)O)C=C2
Tpsa:
127.82
Logp:
0.685
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₈N₂O₅S
Molecular Weight: 454.62
Synonyms: None
SMILES: C([C@H](NS(CCCCC)(=O)=O)C(O)=O)C1=CC=C(OCCCCC2CCNCC2)C=C1
Tpsa: 104.73
Logp: 3.3406
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₈N₂O₅S
Molecular Weight:
454.62
Synonyms:
None
SMILES:
C([C@H](NS(CCCCC)(=O)=O)C(O)=O)C1=CC=C(OCCCCC2CCNCC2)C=C1
Tpsa:
104.73
Logp:
3.3406
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
15
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₅₂N₆O₇
Molecular Weight: 704.86
Synonyms: None
SMILES: N(CC1=CC=C(C=C1)C2=CC=CC=N2)(C[C@@H]([C@H](CC3=CC=CC=C3)NC([C@@H](NC(OC)=O)[C@@](C)(C)C)=O)O)NC([C@H](NC(OC)=O)C(C)(C)C)=O
Tpsa: 171.22
Logp: 4.2116
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 14
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₅₂N₆O₇
Molecular Weight:
704.86
Synonyms:
None
SMILES:
N(CC1=CC=C(C=C1)C2=CC=CC=N2)(C[C@@H]([C@H](CC3=CC=CC=C3)NC([C@@H](NC(OC)=O)[C@@](C)(C)C)=O)O)NC([C@H](NC(OC)=O)C(C)(C)C)=O
Tpsa:
171.22
Logp:
4.2116
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
14