CS-0914835
Afatinib Impurity 21
Manufacturer: ChemScene
CAS Number: 2044709-72-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₈H₁₆F₂N₄O₂
Molecular Weight
358.34
Synonyms
None
SMILES
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(N)=C2)N=CN1)C4=CC(F)=C(F)C=C4
Tpsa
82.29
Logp
3.4015
H Acceptors
6
H Donors
2
Rotatable Bonds
4
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆F₂N₄O₂
Molecular Weight: 358.34
Synonyms: None
SMILES: N(C=1C2=C(C=C(O[C@H]3CCOC3)C(N)=C2)N=CN1)C4=CC(F)=C(F)C=C4
Tpsa: 82.29
Logp: 3.4015
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₆F₂N₄O₂
Molecular Weight:
358.34
Synonyms:
None
SMILES:
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(N)=C2)N=CN1)C4=CC(F)=C(F)C=C4
Tpsa:
82.29
Logp:
3.4015
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₂O
Molecular Weight: 226.27
Synonyms: None
SMILES: O=C(NC=1C=CC=CC1N)CC=2C=CC=CC2
Tpsa: 55.12
Logp: 2.45
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄N₂O
Molecular Weight:
226.27
Synonyms:
None
SMILES:
O=C(NC=1C=CC=CC1N)CC=2C=CC=CC2
Tpsa:
55.12
Logp:
2.45
H Acceptors:
2
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: C₇H₇N₃S
Molecular Weight: 165.22
Synonyms: None
SMILES: SC=1C=CC=2NC(=NC2C1)N
Tpsa: 54.7
Logp: 1.4338
H Acceptors: 3
H Donors: 3
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:
C₇H₇N₃S
Molecular Weight:
165.22
Synonyms:
None
SMILES:
SC=1C=CC=2NC(=NC2C1)N
Tpsa:
54.7
Logp:
1.4338
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃NO₃
Molecular Weight: 159.18
Synonyms: None
SMILES: O=C(OC)C(N)C1OCCC1
Tpsa: 61.55
Logp: -0.3343
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃NO₃
Molecular Weight:
159.18
Synonyms:
None
SMILES:
O=C(OC)C(N)C1OCCC1
Tpsa:
61.55
Logp:
-0.3343
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2