CS-1004951
7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione
Manufacturer: ChemScene
CAS Number: 81781-90-0
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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
C₁₆H₁₇ClN₄O₂
Molecular Weight
332.78
Synonyms
None
SMILES
O=C1C2=C(N=C(N2CCCl)CC=3C=CC=CC3)N(C(=O)N1C)C
Tpsa
61.82
Logp
1.2633
H Acceptors
6
H Donors
0
Rotatable Bonds
4
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₆H₁₇ClN₄O₂
Molecular Weight: 332.78
Synonyms: None
SMILES: O=C1C2=C(N=C(N2CCCl)CC=3C=CC=CC3)N(C(=O)N1C)C
Tpsa: 61.82
Logp: 1.2633
H Acceptors: 6
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:
C₁₆H₁₇ClN₄O₂
Molecular Weight:
332.78
Synonyms:
None
SMILES:
O=C1C2=C(N=C(N2CCCl)CC=3C=CC=CC3)N(C(=O)N1C)C
Tpsa:
61.82
Logp:
1.2633
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂O₁₀
Molecular Weight: 422.38
Synonyms: None
SMILES: OC1=C2C(O[C@@H]([C@@H](O)C2)C3=CC(O)=C(O)C=C3)=CC(O[C@H]4[C@H](O)[C@](CO)(O)CO4)=C1
Tpsa: 169.3
Logp: -0.3401
H Acceptors: 10
H Donors: 7
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂O₁₀
Molecular Weight:
422.38
Synonyms:
None
SMILES:
OC1=C2C(O[C@@H]([C@@H](O)C2)C3=CC(O)=C(O)C=C3)=CC(O[C@H]4[C@H](O)[C@](CO)(O)CO4)=C1
Tpsa:
169.3
Logp:
-0.3401
H Acceptors:
10
H Donors:
7
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: C₁₂H₅Cl₃N₂
Molecular Weight: 283.54
Synonyms: None
SMILES: ClC1=NC2=C(Cl)C3=CC=C(Cl)C=C3N=C2C=C1
Tpsa: 25.78
Logp: 4.7432
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₅Cl₃N₂
Molecular Weight:
283.54
Synonyms:
None
SMILES:
ClC1=NC2=C(Cl)C3=CC=C(Cl)C=C3N=C2C=C1
Tpsa:
25.78
Logp:
4.7432
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₄Cl₂N₂O
Molecular Weight: 319.27
Synonyms: None
SMILES: ClC=1C=C(C=C(Cl)C1N)C(OC(C)C)CNC(C)(C)C
Tpsa: 47.28
Logp: 4.4298
H Acceptors: 3
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:
C₁₅H₂₄Cl₂N₂O
Molecular Weight:
319.27
Synonyms:
None
SMILES:
ClC=1C=C(C=C(Cl)C1N)C(OC(C)C)CNC(C)(C)C
Tpsa:
47.28
Logp:
4.4298
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5