CS-1000731
Afatinib Impurity 77
Manufacturer: ChemScene
CAS Number: 1219925-31-1
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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
C₂₄H₂₇ClFN₅O₃
Molecular Weight
487.95
Synonyms
None
SMILES
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(CCCN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa
88.61
Logp
4.6139
H Acceptors
7
H Donors
2
Rotatable Bonds
9
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: C₂₄H₂₇ClFN₅O₃
Molecular Weight: 487.95
Synonyms: None
SMILES: N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(CCCN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa: 88.61
Logp: 4.6139
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₇ClFN₅O₃
Molecular Weight:
487.95
Synonyms:
None
SMILES:
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(CCCN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa:
88.61
Logp:
4.6139
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₆BrNO₄
Molecular Weight: 436.34
Synonyms: None
SMILES: O[C@@]12[C@@]3(C=4C(=C[C@]1([N@+](CC5CC5)(C)CC3)[H])C=CC(=O)C4O)CC(=O)CC2.[Br-]
Tpsa: 74.6
Logp: -1.0192
H Acceptors: 4
H Donors: 2
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:
C₂₁H₂₆BrNO₄
Molecular Weight:
436.34
Synonyms:
None
SMILES:
O[C@@]12[C@@]3(C=4C(=C[C@]1([N@+](CC5CC5)(C)CC3)[H])C=CC(=O)C4O)CC(=O)CC2.[Br-]
Tpsa:
74.6
Logp:
-1.0192
H Acceptors:
4
H Donors:
2
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: C₃₀H₃₈O₁₅
Molecular Weight: 638.61
Synonyms: None
SMILES: C(/C=C/C1=CC(OC)=C(OC)C=C1)(=O)C2=C(OC)C=C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)C=C2O
Tpsa: 223.29
Logp: -0.6554
H Acceptors: 15
H Donors: 7
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₈O₁₅
Molecular Weight:
638.61
Synonyms:
None
SMILES:
C(/C=C/C1=CC(OC)=C(OC)C=C1)(=O)C2=C(OC)C=C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)C=C2O
Tpsa:
223.29
Logp:
-0.6554
H Acceptors:
15
H Donors:
7
Rotatable Bonds:
11
Purity: 95%
MDL No: MFCD28543658
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrFO
Molecular Weight: 219.05
Synonyms: None
SMILES: FCC(O)C1=CC=C(Br)C=C1
Tpsa: 20.23
Logp: 2.452
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
MFCD28543658
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BrFO
Molecular Weight:
219.05
Synonyms:
None
SMILES:
FCC(O)C1=CC=C(Br)C=C1
Tpsa:
20.23
Logp:
2.452
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2