CS-1002786
Ethyl (αZ)-α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-3-chloro-2,4,5-trifluoro-β-oxobenzenepropanoate
Manufacturer: ChemScene
CAS Number: 2227359-21-7
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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
C₁₇H₁₁ClF₅N₃O₃
Molecular Weight
435.73
Synonyms
None
SMILES
C(/C(=C/NC1=C(F)C=C(F)C(N)=N1)/C(OCC)=O)(=O)C2=C(F)C(Cl)=C(F)C(F)=C2
Tpsa
94.31
Logp
3.7545
H Acceptors
6
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: C₁₇H₁₁ClF₅N₃O₃
Molecular Weight: 435.73
Synonyms: None
SMILES: C(/C(=C/NC1=C(F)C=C(F)C(N)=N1)/C(OCC)=O)(=O)C2=C(F)C(Cl)=C(F)C(F)=C2
Tpsa: 94.31
Logp: 3.7545
H Acceptors: 6
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:
C₁₇H₁₁ClF₅N₃O₃
Molecular Weight:
435.73
Synonyms:
None
SMILES:
C(/C(=C/NC1=C(F)C=C(F)C(N)=N1)/C(OCC)=O)(=O)C2=C(F)C(Cl)=C(F)C(F)=C2
Tpsa:
94.31
Logp:
3.7545
H Acceptors:
6
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: C₂₁H₂₁F₂N₃O₅
Molecular Weight: 433.41
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa: 102.04
Logp: 1.6214
H Acceptors: 7
H Donors: 2
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:
C₂₁H₂₁F₂N₃O₅
Molecular Weight:
433.41
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa:
102.04
Logp:
1.6214
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉ClFN
Molecular Weight: 185.63
Synonyms: None
SMILES: N[C@H]1[C@@H](C1)C2=CC(Cl)=C(F)C=C2
Tpsa: 26.02
Logp: 2.2937
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉ClFN
Molecular Weight:
185.63
Synonyms:
None
SMILES:
N[C@H]1[C@@H](C1)C2=CC(Cl)=C(F)C=C2
Tpsa:
26.02
Logp:
2.2937
H Acceptors:
1
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: C₈H₉ClO₃
Molecular Weight: 188.61
Synonyms: None
SMILES: ClCC(O)C=1C=CC=C(O)C1O
Tpsa: 60.69
Logp: 1.37
H Acceptors: 3
H Donors: 3
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:
C₈H₉ClO₃
Molecular Weight:
188.61
Synonyms:
None
SMILES:
ClCC(O)C=1C=CC=C(O)C1O
Tpsa:
60.69
Logp:
1.37
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2