CS-0255370
1-Ethyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Ibrutinib Impurity
Manufacturer: ChemScene
CAS Number: 2213398-76-4
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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
C₁₉H₁₇N₅O
Molecular Weight
331.37
Synonyms
None
SMILES
NC1=C2C(N(CC)N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1
Tpsa
78.85
Logp
3.8877
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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SAFETY INFORMATION
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: C₁₉H₁₇N₅O
Molecular Weight: 331.37
Synonyms: None
SMILES: NC1=C2C(N(CC)N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1
Tpsa: 78.85
Logp: 3.8877
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇N₅O
Molecular Weight:
331.37
Synonyms:
None
SMILES:
NC1=C2C(N(CC)N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1
Tpsa:
78.85
Logp:
3.8877
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₉N₅O
Molecular Weight: 345.40
Synonyms: None
SMILES: CC(N1C2=NC=NC(N)=C2C(C3=CC=C(C=C3)OC4=CC=CC=C4)=N1)C
Tpsa: 78.85
Logp: 4.4487
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₉N₅O
Molecular Weight:
345.40
Synonyms:
None
SMILES:
CC(N1C2=NC=NC(N)=C2C(C3=CC=C(C=C3)OC4=CC=CC=C4)=N1)C
Tpsa:
78.85
Logp:
4.4487
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₁N₅O
Molecular Weight: 359.42
Synonyms: Ibrutinib Impurity IMDJ
SMILES: NC1=C2C(N(CCCC)N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1
Tpsa: 78.85
Logp: 4.6679
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁N₅O
Molecular Weight:
359.42
Synonyms:
Ibrutinib Impurity IMDJ
SMILES:
NC1=C2C(N(CCCC)N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1
Tpsa:
78.85
Logp:
4.6679
H Acceptors:
6
H Donors:
1
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: C₁₅H₁₂ClFN₄O
Molecular Weight: 318.73
Synonyms: None
SMILES: NC1=CC2=C(NC3=CC=C(Cl)C(F)=C3)N=CN=C2C=C1OC
Tpsa: 73.06
Logp: 3.7567
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:
C₁₅H₁₂ClFN₄O
Molecular Weight:
318.73
Synonyms:
None
SMILES:
NC1=CC2=C(NC3=CC=C(Cl)C(F)=C3)N=CN=C2C=C1OC
Tpsa:
73.06
Logp:
3.7567
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3