CS-1000938
Sorafenib Impurity 17
Manufacturer: ChemScene
CAS Number: 1290546-48-3
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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
C₂₁H₁₆ClF₃N₄O₃
Molecular Weight
464.82
Synonyms
None
SMILES
O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC(=CC=C3Cl)C(F)(F)F
Tpsa
92.35
Logp
5.5497
H Acceptors
4
H Donors
3
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: C₂₁H₁₆ClF₃N₄O₃
Molecular Weight: 464.82
Synonyms: None
SMILES: O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC(=CC=C3Cl)C(F)(F)F
Tpsa: 92.35
Logp: 5.5497
H Acceptors: 4
H Donors: 3
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:
C₂₁H₁₆ClF₃N₄O₃
Molecular Weight:
464.82
Synonyms:
None
SMILES:
O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC(=CC=C3Cl)C(F)(F)F
Tpsa:
92.35
Logp:
5.5497
H Acceptors:
4
H Donors:
3
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: C₂₂H₂₆FNO₄
Molecular Weight: 387.44
Synonyms: None
SMILES: [C@@H](CNC[C@H](O)[C@]1(OC=2C(CC1)=CC=CC2)[H])(O)[C@@]3(OC=4C(CC3)=CC(F)=CC4)[H]
Tpsa: 70.95
Logp: 2.2245
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆FNO₄
Molecular Weight:
387.44
Synonyms:
None
SMILES:
[C@@H](CNC[C@H](O)[C@]1(OC=2C(CC1)=CC=CC2)[H])(O)[C@@]3(OC=4C(CC3)=CC(F)=CC4)[H]
Tpsa:
70.95
Logp:
2.2245
H Acceptors:
5
H Donors:
3
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: C₂₂H₂₆FNO₄
Molecular Weight: 387.44
Synonyms: None
SMILES: [C@@H](CNC[C@H](O)[C@@]1(OC=2C(CC1)=CC=CC2)[H])(O)[C@]3(OC=4C(CC3)=CC(F)=CC4)[H]
Tpsa: 70.95
Logp: 2.2245
H Acceptors: 5
H Donors: 3
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:
C₂₂H₂₆FNO₄
Molecular Weight:
387.44
Synonyms:
None
SMILES:
[C@@H](CNC[C@H](O)[C@@]1(OC=2C(CC1)=CC=CC2)[H])(O)[C@]3(OC=4C(CC3)=CC(F)=CC4)[H]
Tpsa:
70.95
Logp:
2.2245
H Acceptors:
5
H Donors:
3
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: C₈₀H₁₁₂ClN₁₇O₁₄
Molecular Weight: 1571.30
Synonyms: None
SMILES: C([C@@H](NC([C@@H](NC([C@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@H](NC([C@@H](CC2=CC=C(Cl)C=C2)NC([C@@H](CC3=CC4=C(C=C3)C=CC=C4)NC(C)=O)=O)=O)CC=5C=CC=NC5)=O)CO)=O)=O)CCCCN=C(NCC)NCC)=O)CC(C)C)=O)CCCCN=C(NCC)NCC)(=O)N6[C@H](C(N[C@@H](C(O)=O)C)=O)CCC6
Tpsa: 445.7
Logp: 2.872
H Acceptors: 16
H Donors: 16
Rotatable Bonds: 44
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈₀H₁₁₂ClN₁₇O₁₄
Molecular Weight:
1571.30
Synonyms:
None
SMILES:
C([C@@H](NC([C@@H](NC([C@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@H](NC([C@@H](CC2=CC=C(Cl)C=C2)NC([C@@H](CC3=CC4=C(C=C3)C=CC=C4)NC(C)=O)=O)=O)CC=5C=CC=NC5)=O)CO)=O)=O)CCCCN=C(NCC)NCC)=O)CC(C)C)=O)CCCCN=C(NCC)NCC)(=O)N6[C@H](C(N[C@@H](C(O)=O)C)=O)CCC6
Tpsa:
445.7
Logp:
2.872
H Acceptors:
16
H Donors:
16
Rotatable Bonds:
44