1-(3-Bromophenyl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Name: 1-(3-Bromophenyl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one
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CAS No. 650628-15-2
Cat. No. CS-0245991
Molecule weight291.10
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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1-(3-Bromophenyl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one|CS-0245991

Structure of 650628-15-2

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General Information

CAS No. 650628-15-2
Cat. No. CS-0245991
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₇BrN₄O
Molecular Weight 291.10
Synonym(s) 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1-(3-bromophenyl)-1,5-dihydro-
SMILES O=C1C2=C(N(C3=CC=CC(Br)=C3)N=C2)N=CN1

Synthesis

Route1
- 40887-80-7
- ~%
- 650628-15-2
References
- Peat, Andrew J.; Boucheron, Joyce A.; Dickerson, Scott H.; Garrido, Dulce; Mills, Wendy; Peckham, Jennifer; Preugschat, Frank; Smalley, Terrence; Schweiker, Stephanie L.; Wilson, Jayme R.; Wang, Tony Y.; Zhou, Huiqiang Q.; Thomson, Stephen A. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 9 p. 2121 - 2125
Route2
- 64-18-6
- 71856-56-9
- ~%
- 650628-15-2
References
- Peat, Andrew J.; Boucheron, Joyce A.; Dickerson, Scott H.; Garrido, Dulce; Mills, Wendy; Peckham, Jennifer; Preugschat, Frank; Smalley, Terrence; Schweiker, Stephanie L.; Wilson, Jayme R.; Wang, Tony Y.; Zhou, Huiqiang Q.; Thomson, Stephen A. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 9 p. 2121 - 2125

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 63.57
LogP 1.8713
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Bromophenyl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

CAS No. 650628-15-2

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