CS-0536261
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N5,N5-dimethylpyrimidine-4,5,6-triamine
Manufacturer: ChemScene
CAS Number: 1169770-52-8
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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
C₁₉H₁₉FN₈
Molecular Weight
378.41
Synonyms
None
SMILES
FC=1C=CC=CC1CN2N=C(C=3N=C(N)C(=C(N3)N)N(C)C)C=4C=CC=NC42
Tpsa
111.77
Logp
2.3061
H Acceptors
8
H Donors
2
Rotatable Bonds
4
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: C₁₉H₁₉FN₈
Molecular Weight: 378.41
Synonyms: None
SMILES: FC=1C=CC=CC1CN2N=C(C=3N=C(N)C(=C(N3)N)N(C)C)C=4C=CC=NC42
Tpsa: 111.77
Logp: 2.3061
H Acceptors: 8
H Donors: 2
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:
C₁₉H₁₉FN₈
Molecular Weight:
378.41
Synonyms:
None
SMILES:
FC=1C=CC=CC1CN2N=C(C=3N=C(N)C(=C(N3)N)N(C)C)C=4C=CC=NC42
Tpsa:
111.77
Logp:
2.3061
H Acceptors:
8
H Donors:
2
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: C₁₅H₁₅N₃O₄S
Molecular Weight: 333.36
Synonyms: 2-{[(3,4-Dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazol-5-ol
SMILES: COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OC
Tpsa: 97.33
Logp: 1.9885
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅N₃O₄S
Molecular Weight:
333.36
Synonyms:
2-{[(3,4-Dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazol-5-ol
SMILES:
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OC
Tpsa:
97.33
Logp:
1.9885
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₀N₂O₅S₂
Molecular Weight: 432.51
Synonyms: None
SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)O)C)C(=O)O
Tpsa: 109.61
Logp: 4.98164
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₀N₂O₅S₂
Molecular Weight:
432.51
Synonyms:
None
SMILES:
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)O)C)C(=O)O
Tpsa:
109.61
Logp:
4.98164
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅N₅O₃
Molecular Weight: 277.28
Synonyms: Entecavir Impurity 112
SMILES: C=C1[C@@](N2C3=C(N=C2)C(=O)N=C(N)N3)(C[C@H](O)[C@@H]1CO)[H]
Tpsa: 130.05
Logp: -0.8278
H Acceptors: 7
H Donors: 4
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:
C₁₂H₁₅N₅O₃
Molecular Weight:
277.28
Synonyms:
Entecavir Impurity 112
SMILES:
C=C1[C@@](N2C3=C(N=C2)C(=O)N=C(N)N3)(C[C@H](O)[C@@H]1CO)[H]
Tpsa:
130.05
Logp:
-0.8278
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
2