CS-0642190
3,7-Dimethyl-2-((5-oxohexyl)oxy)-3,7-dihydro-6H-purin-6-one Pentoxifylline impurity
Manufacturer: ChemScene
CAS Number: 1410913-79-9
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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
C₁₃H₁₈N₄O₃
Molecular Weight
278.31
Synonyms
None
SMILES
O=C1N=C(N(C)C2=C1N(C)C=N2)OCCCCC(C)=O
Tpsa
79.01
Logp
0.8051
H Acceptors
7
H Donors
0
Rotatable Bonds
6
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: C₁₃H₁₈N₄O₃
Molecular Weight: 278.31
Synonyms: None
SMILES: O=C1N=C(N(C)C2=C1N(C)C=N2)OCCCCC(C)=O
Tpsa: 79.01
Logp: 0.8051
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₄O₃
Molecular Weight:
278.31
Synonyms:
None
SMILES:
O=C1N=C(N(C)C2=C1N(C)C=N2)OCCCCC(C)=O
Tpsa:
79.01
Logp:
0.8051
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁N₃O
Molecular Weight: 153.18
Synonyms: None
SMILES: O=CC1=CN=C(N(C)C)N1C
Tpsa: 38.13
Logp: 0.2986
H Acceptors: 4
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:
C₇H₁₁N₃O
Molecular Weight:
153.18
Synonyms:
None
SMILES:
O=CC1=CN=C(N(C)C)N1C
Tpsa:
38.13
Logp:
0.2986
H Acceptors:
4
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: C₈H₁₂N₂O
Molecular Weight: 152.19
Synonyms: None
SMILES: O=CC1=C(C)N=CN1C(C)C
Tpsa: 34.89
Logp: 1.58492
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:
C₈H₁₂N₂O
Molecular Weight:
152.19
Synonyms:
None
SMILES:
O=CC1=C(C)N=CN1C(C)C
Tpsa:
34.89
Logp:
1.58492
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: C₅H₄F₂N₂O
Molecular Weight: 146.09
Synonyms: None
SMILES: FC(F)C(C1=NC=CN1)=O
Tpsa: 45.75
Logp: 0.8575
H Acceptors: 2
H Donors: 1
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:
C₅H₄F₂N₂O
Molecular Weight:
146.09
Synonyms:
None
SMILES:
FC(F)C(C1=NC=CN1)=O
Tpsa:
45.75
Logp:
0.8575
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2