CS-0532128
1,1'-Methylenebis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione) Pentoxifylline Impurity
Manufacturer: ChemScene
CAS Number: 77196-87-3
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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
C₁₅H₁₆N₈O₄
Molecular Weight
372.34
Synonyms
1,1'-Methylene Bis[Theobromine]
SMILES
O=C1C2=C(N(C)C(N1CN3C(C4=C(N(C)C3=O)N=CN4C)=O)=O)N=CN2C
Tpsa
123.64
Logp
-2.3134
H Acceptors
12
H Donors
0
Rotatable Bonds
2
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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: C₁₅H₁₆N₈O₄
Molecular Weight: 372.34
Synonyms: 1,1'-Methylene Bis[Theobromine]
SMILES: O=C1C2=C(N(C)C(N1CN3C(C4=C(N(C)C3=O)N=CN4C)=O)=O)N=CN2C
Tpsa: 123.64
Logp: -2.3134
H Acceptors: 12
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:
C₁₅H₁₆N₈O₄
Molecular Weight:
372.34
Synonyms:
1,1'-Methylene Bis[Theobromine]
SMILES:
O=C1C2=C(N(C)C(N1CN3C(C4=C(N(C)C3=O)N=CN4C)=O)=O)N=CN2C
Tpsa:
123.64
Logp:
-2.3134
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD02260860
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀O₃
Molecular Weight: 178.18
Synonyms: 3-Propanoylbenzoic acid
SMILES: O=C(C1=CC=CC(C(CC)=O)=C1)O
Tpsa: 54.37
Logp: 1.9775
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD02260860
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀O₃
Molecular Weight:
178.18
Synonyms:
3-Propanoylbenzoic acid
SMILES:
O=C(C1=CC=CC(C(CC)=O)=C1)O
Tpsa:
54.37
Logp:
1.9775
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄N₂
Molecular Weight: 174.24
Synonyms: 4-amino-2-tert-butylbenzonitrile
SMILES: N#CC1=CC=C(C=C1C(C)(C)C)N
Tpsa: 49.81
Logp: 2.43798
H Acceptors: 2
H Donors: 1
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:
C₁₁H₁₄N₂
Molecular Weight:
174.24
Synonyms:
4-amino-2-tert-butylbenzonitrile
SMILES:
N#CC1=CC=C(C=C1C(C)(C)C)N
Tpsa:
49.81
Logp:
2.43798
H Acceptors:
2
H Donors:
1
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: C₈H₈O₄
Molecular Weight: 168.15
Synonyms: None
SMILES: O=C(C1=CC=C(C(CO)=C1)O)O
Tpsa: 77.76
Logp: 0.5827
H Acceptors: 3
H Donors: 3
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:
C₈H₈O₄
Molecular Weight:
168.15
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(CO)=C1)O)O
Tpsa:
77.76
Logp:
0.5827
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2