CS-1002257
Afatinib Impurity 56
Manufacturer: ChemScene
CAS Number: 1870880-09-3
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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
C₂₀H₁₈Cl₂FN₅O
Molecular Weight
434.29
Synonyms
None
SMILES
N(C=1C2=C(C=C(Cl)C(NC(/C=C/CN(C)C)=O)=C2)N=CN1)C3=CC(Cl)=C(F)C=C3
Tpsa
70.15
Logp
4.8756
H Acceptors
5
H Donors
2
Rotatable Bonds
6
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₀H₁₈Cl₂FN₅O
Molecular Weight: 434.29
Synonyms: None
SMILES: N(C=1C2=C(C=C(Cl)C(NC(/C=C/CN(C)C)=O)=C2)N=CN1)C3=CC(Cl)=C(F)C=C3
Tpsa: 70.15
Logp: 4.8756
H Acceptors: 5
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:
C₂₀H₁₈Cl₂FN₅O
Molecular Weight:
434.29
Synonyms:
None
SMILES:
N(C=1C2=C(C=C(Cl)C(NC(/C=C/CN(C)C)=O)=C2)N=CN1)C3=CC(Cl)=C(F)C=C3
Tpsa:
70.15
Logp:
4.8756
H Acceptors:
5
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: C₉H₁₄N₂O₄
Molecular Weight: 214.22
Synonyms: None
SMILES: N(C(C)=O)[C@@H]1[C@@H](N)CC(C(O)=O)=C[C@H]1O
Tpsa: 112.65
Logp: -1.406
H Acceptors: 4
H Donors: 4
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:
C₉H₁₄N₂O₄
Molecular Weight:
214.22
Synonyms:
None
SMILES:
N(C(C)=O)[C@@H]1[C@@H](N)CC(C(O)=O)=C[C@H]1O
Tpsa:
112.65
Logp:
-1.406
H Acceptors:
4
H Donors:
4
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: C₃₅H₃₆ClF₂IN₈O₅S
Molecular Weight: 881.13
Synonyms: None
SMILES: [C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CNC)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.Cl.[I-]
Tpsa: 159.37
Logp: 2.01038
H Acceptors: 12
H Donors: 2
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:
C₃₅H₃₆ClF₂IN₈O₅S
Molecular Weight:
881.13
Synonyms:
None
SMILES:
[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CNC)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.Cl.[I-]
Tpsa:
159.37
Logp:
2.01038
H Acceptors:
12
H Donors:
2
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: C₃₄H₄₁N₇O₅
Molecular Weight: 627.73
Synonyms: None
SMILES: CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(NC(OCCCC(C)C)=O)=N)C=C4
Tpsa: 151.53
Logp: 5.66817
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₄₁N₇O₅
Molecular Weight:
627.73
Synonyms:
None
SMILES:
CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(NC(OCCCC(C)C)=O)=N)C=C4
Tpsa:
151.53
Logp:
5.66817
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
14