CS-1002956
Afatinib Impurity 60
Manufacturer: ChemScene
CAS Number: 2316847-95-5
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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
C₂₂H₂₀ClFN₄O₄
Molecular Weight
458.87
Synonyms
None
SMILES
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(C=C(C)O)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa
105.6
Logp
4.7339
H Acceptors
7
H Donors
3
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: C₂₂H₂₀ClFN₄O₄
Molecular Weight: 458.87
Synonyms: None
SMILES: N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(C=C(C)O)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa: 105.6
Logp: 4.7339
H Acceptors: 7
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:
C₂₂H₂₀ClFN₄O₄
Molecular Weight:
458.87
Synonyms:
None
SMILES:
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(C=C(C)O)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa:
105.6
Logp:
4.7339
H Acceptors:
7
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: C₃H₄Cl₃NO
Molecular Weight: 176.43
Synonyms: None
SMILES: O=C(NC)C(Cl)(Cl)Cl
Tpsa: 29.1
Logp: 1.1026
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃H₄Cl₃NO
Molecular Weight:
176.43
Synonyms:
None
SMILES:
O=C(NC)C(Cl)(Cl)Cl
Tpsa:
29.1
Logp:
1.1026
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉Cl₂N
Molecular Weight: 308.25
Synonyms: None
SMILES: ClCCN(CC=1C=CC=CC1)CC(Cl)C=2C=CC=CC2
Tpsa: 3.24
Logp: 4.7075
H Acceptors: 1
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:
C₁₇H₁₉Cl₂N
Molecular Weight:
308.25
Synonyms:
None
SMILES:
ClCCN(CC=1C=CC=CC1)CC(Cl)C=2C=CC=CC2
Tpsa:
3.24
Logp:
4.7075
H Acceptors:
1
H Donors:
0
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: C₇H₉NO₃S₂
Molecular Weight: 219.28
Synonyms: None
SMILES: O=C(OCC)CN1C(=S)SCC1=O
Tpsa: 46.61
Logp: 0.4098
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉NO₃S₂
Molecular Weight:
219.28
Synonyms:
None
SMILES:
O=C(OCC)CN1C(=S)SCC1=O
Tpsa:
46.61
Logp:
0.4098
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3