CS-0531986
1-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione Pentoxifylline Impurity
Manufacturer: ChemScene
CAS Number: 55247-90-0
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Purity
98%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₄N₄O₂
Molecular Weight
270.29
Synonyms
1-Benzyltheobromine
SMILES
O=C1C2=C(N(C)C(N1CC3=CC=CC=C3)=O)N=CN2C
Tpsa
61.82
Logp
0.482
H Acceptors
6
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 55247-90-0 | 3,7-Dihydro-3,7-dimethyl-1-(phenylmethyl)-1H-purine-2,6-dione | A2B Chem | -- |
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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-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₄O₂
Molecular Weight: 270.29
Synonyms: 1-Benzyltheobromine
SMILES: O=C1C2=C(N(C)C(N1CC3=CC=CC=C3)=O)N=CN2C
Tpsa: 61.82
Logp: 0.482
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄N₄O₂
Molecular Weight:
270.29
Synonyms:
1-Benzyltheobromine
SMILES:
O=C1C2=C(N(C)C(N1CC3=CC=CC=C3)=O)N=CN2C
Tpsa:
61.82
Logp:
0.482
H Acceptors:
6
H Donors:
0
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: C₈H₇FO₃
Molecular Weight: 170.14
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1CO)F)O
Tpsa: 57.53
Logp: 1.0162
H Acceptors: 2
H Donors: 2
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:
C₈H₇FO₃
Molecular Weight:
170.14
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1CO)F)O
Tpsa:
57.53
Logp:
1.0162
H Acceptors:
2
H Donors:
2
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: C₈H₇BrF₂
Molecular Weight: 221.04
Synonyms: None
SMILES: FC(C1=C(Br)C(C)=CC=C1)F
Tpsa: 0
Logp: 3.69512
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇BrF₂
Molecular Weight:
221.04
Synonyms:
None
SMILES:
FC(C1=C(Br)C(C)=CC=C1)F
Tpsa:
0
Logp:
3.69512
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄F₂O₃
Molecular Weight: 208.20
Synonyms: None
SMILES: O=C(C1(CCC(F)(CC1)F)OC)OC
Tpsa: 35.53
Logp: 1.7539
H Acceptors: 3
H Donors: 0
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:
C₉H₁₄F₂O₃
Molecular Weight:
208.20
Synonyms:
None
SMILES:
O=C(C1(CCC(F)(CC1)F)OC)OC
Tpsa:
35.53
Logp:
1.7539
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2