CS-0102593
1-(4-(5-(3-(4-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Manufacturer: ChemScene
CAS Number: 2443966-66-1
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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
C₅₀H₄₈N₁₂O₄
Molecular Weight
880.99
Synonyms
None
SMILES
O=C(N1CCC(CC1)N2C3=NC=NC(N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CCN(C=NC6=C7C(C8=CC=C(OC9=CC=CC=C9)C=C8)=NN6C%10CCN(CC%10)C(C=C)=O)C7=N
Tpsa
188.19
Logp
7.95607
H Acceptors
14
H Donors
2
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2443966-66-1 | 1-(4-(5-(3-(4-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one | A2B Chem | -- |
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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: C₅₀H₄₈N₁₂O₄
Molecular Weight: 880.99
Synonyms: None
SMILES: O=C(N1CCC(CC1)N2C3=NC=NC(N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CCN(C=NC6=C7C(C8=CC=C(OC9=CC=CC=C9)C=C8)=NN6C%10CCN(CC%10)C(C=C)=O)C7=N
Tpsa: 188.19
Logp: 7.95607
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₀H₄₈N₁₂O₄
Molecular Weight:
880.99
Synonyms:
None
SMILES:
O=C(N1CCC(CC1)N2C3=NC=NC(N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CCN(C=NC6=C7C(C8=CC=C(OC9=CC=CC=C9)C=C8)=NN6C%10CCN(CC%10)C(C=C)=O)C7=N
Tpsa:
188.19
Logp:
7.95607
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₂F₃N
Molecular Weight: 357.41
Synonyms: None
SMILES: C[C@H](NCCCC1=CC=CC(C(F)(F)F)=C1)C2=CC=C3C(C=CC=C3)=C2
Tpsa: 12.03
Logp: 6.142
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₂F₃N
Molecular Weight:
357.41
Synonyms:
None
SMILES:
C[C@H](NCCCC1=CC=CC(C(F)(F)F)=C1)C2=CC=C3C(C=CC=C3)=C2
Tpsa:
12.03
Logp:
6.142
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
6
Purity: 97%
MDL No: MFCD26406829
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BrNO₂
Molecular Weight: 256.10
Synonyms: 1-(5-bromopyridin-2-yl)cyclobutanecarboxylic acid
SMILES: O=C(C1(C2=NC=C(Br)C=C2)CCC1)O
Tpsa: 50.19
Logp: 2.3504
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD26406829
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀BrNO₂
Molecular Weight:
256.10
Synonyms:
1-(5-bromopyridin-2-yl)cyclobutanecarboxylic acid
SMILES:
O=C(C1(C2=NC=C(Br)C=C2)CCC1)O
Tpsa:
50.19
Logp:
2.3504
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD09788628
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃ClN₂O₂
Molecular Weight: 216.66
Synonyms: ethyl 6-(aminomethyl)-3-pyridinecarboxylate hydrochloride
SMILES: O=C(C1=CC=C(CN)N=C1)OCC.[H]Cl
Tpsa: 65.21
Logp: 1.1388
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD09788628
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃ClN₂O₂
Molecular Weight:
216.66
Synonyms:
ethyl 6-(aminomethyl)-3-pyridinecarboxylate hydrochloride
SMILES:
O=C(C1=CC=C(CN)N=C1)OCC.[H]Cl
Tpsa:
65.21
Logp:
1.1388
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3