CS-1002136
Afatinib Impurity W
Manufacturer: ChemScene
CAS Number: 1801881-95-7
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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
C₁₆H₁₅ClFN₅
Molecular Weight
331.78
Synonyms
None
SMILES
FC1=CC=C(C=C1Cl)NC=2N=CN=C3C=C(C(N)=CC32)N(C)C
Tpsa
67.07
Logp
3.8141
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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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: C₁₆H₁₅ClFN₅
Molecular Weight: 331.78
Synonyms: None
SMILES: FC1=CC=C(C=C1Cl)NC=2N=CN=C3C=C(C(N)=CC32)N(C)C
Tpsa: 67.07
Logp: 3.8141
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₅ClFN₅
Molecular Weight:
331.78
Synonyms:
None
SMILES:
FC1=CC=C(C=C1Cl)NC=2N=CN=C3C=C(C(N)=CC32)N(C)C
Tpsa:
67.07
Logp:
3.8141
H Acceptors:
5
H Donors:
2
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: C₁₃H₁₄Br₂N₂O₃
Molecular Weight: 406.07
Synonyms: None
SMILES: N(=O)(=O)C1=C(C=N[C@H]2CC[C@H](O)CC2)C=C(Br)C=C1Br
Tpsa: 75.73
Logp: 3.8422
H Acceptors: 4
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:
C₁₃H₁₄Br₂N₂O₃
Molecular Weight:
406.07
Synonyms:
None
SMILES:
N(=O)(=O)C1=C(C=N[C@H]2CC[C@H](O)CC2)C=C(Br)C=C1Br
Tpsa:
75.73
Logp:
3.8422
H Acceptors:
4
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: C₁₀H₁₄N₄O₄
Molecular Weight: 254.24
Synonyms: None
SMILES: O=C1C=2N=CN(C2N(C(=O)N1C)C)CC(O)CO
Tpsa: 102.28
Logp: -2.2131
H Acceptors: 8
H Donors: 2
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:
C₁₀H₁₄N₄O₄
Molecular Weight:
254.24
Synonyms:
None
SMILES:
O=C1C=2N=CN(C2N(C(=O)N1C)C)CC(O)CO
Tpsa:
102.28
Logp:
-2.2131
H Acceptors:
8
H Donors:
2
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: C₂₁H₂₄FN₃O₃S
Molecular Weight: 417.50
Synonyms: None
SMILES: C(=C/C=C/C(C)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2
Tpsa: 80.23
Logp: 3.9603
H Acceptors: 5
H Donors: 0
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:
C₂₁H₂₄FN₃O₃S
Molecular Weight:
417.50
Synonyms:
None
SMILES:
C(=C/C=C/C(C)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2
Tpsa:
80.23
Logp:
3.9603
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
7