CS-0536265
2-Amino-9-((1S,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-3,9-dihydro-6H-purin-6-one
Manufacturer: ChemScene
CAS Number: 1333204-93-5
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₆N₂OS
Molecular Weight: 272.37
Synonyms: 2-(2-Methylpropoxy)-5-(4-methyl-2-thiazolyl)benzonitrile
SMILES: CC1=CSC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N
Tpsa: 45.91
Logp: 4.025
H Acceptors: 4
H Donors: 0
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:
C₁₅H₁₆N₂OS
Molecular Weight:
272.37
Synonyms:
2-(2-Methylpropoxy)-5-(4-methyl-2-thiazolyl)benzonitrile
SMILES:
CC1=CSC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N
Tpsa:
45.91
Logp:
4.025
H Acceptors:
4
H Donors:
0
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: C₂₄H₂₈N₂O₅S₂
Molecular Weight: 488.62
Synonyms: Febuxostat-51
SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)OCC)C)C
Tpsa: 87.61
Logp: 5.93864
H Acceptors: 9
H Donors: 0
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:
C₂₄H₂₈N₂O₅S₂
Molecular Weight:
488.62
Synonyms:
Febuxostat-51
SMILES:
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)OCC)C)C
Tpsa:
87.61
Logp:
5.93864
H Acceptors:
9
H Donors:
0
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: C₂₁H₂₁FN₈O₂
Molecular Weight: 436.44
Synonyms: Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-ethyl-, methyl ester
SMILES: CCN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC
Tpsa: 138.07
Logp: 2.8328
H Acceptors: 9
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:
C₂₁H₂₁FN₈O₂
Molecular Weight:
436.44
Synonyms:
Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-ethyl-, methyl ester
SMILES:
CCN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC
Tpsa:
138.07
Logp:
2.8328
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
5