CS-1005093
Fluralaner Impurity 62
Manufacturer: ChemScene
CAS Number: 864731-38-4
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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
C₂₁H₁₇Cl₂F₃N₂O₄
Molecular Weight
489.27
Synonyms
None
SMILES
O=C(OC)CNC(=O)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Cl)C3)(C2)C(F)(F)F
Tpsa
76.99
Logp
4.78682
H Acceptors
5
H Donors
1
Rotatable Bonds
5
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: C₂₁H₁₇Cl₂F₃N₂O₄
Molecular Weight: 489.27
Synonyms: None
SMILES: O=C(OC)CNC(=O)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Cl)C3)(C2)C(F)(F)F
Tpsa: 76.99
Logp: 4.78682
H Acceptors: 5
H Donors: 1
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:
C₂₁H₁₇Cl₂F₃N₂O₄
Molecular Weight:
489.27
Synonyms:
None
SMILES:
O=C(OC)CNC(=O)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Cl)C3)(C2)C(F)(F)F
Tpsa:
76.99
Logp:
4.78682
H Acceptors:
5
H Donors:
1
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: C₂₁H₃₀O₂
Molecular Weight: 314.46
Synonyms: None
SMILES: C[C@]12[C@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)O)CC4)[H])(C=CC1=CC(=O)CC2)[H])[H]
Tpsa: 37.3
Logp: 4.2913
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₀O₂
Molecular Weight:
314.46
Synonyms:
None
SMILES:
C[C@]12[C@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)O)CC4)[H])(C=CC1=CC(=O)CC2)[H])[H]
Tpsa:
37.3
Logp:
4.2913
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₁FN₂O₂
Molecular Weight: 328.38
Synonyms: None
SMILES: N#CC1=CC=C(C(=C1)CO)C(O)(C2=CC=C(F)C=C2)CCCNC
Tpsa: 76.28
Logp: 2.42518
H Acceptors: 4
H Donors: 3
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:
C₁₉H₂₁FN₂O₂
Molecular Weight:
328.38
Synonyms:
None
SMILES:
N#CC1=CC=C(C(=C1)CO)C(O)(C2=CC=C(F)C=C2)CCCNC
Tpsa:
76.28
Logp:
2.42518
H Acceptors:
4
H Donors:
3
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: C₁₈H₂₁N₅O₂
Molecular Weight: 339.39
Synonyms: None
SMILES: N#CC=1C=CC=CC1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C
Tpsa: 97.05
Logp: 0.39448
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₁N₅O₂
Molecular Weight:
339.39
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C
Tpsa:
97.05
Logp:
0.39448
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
3