CS-0643433
5-(2-Fluorophenyl)-1-((5-(2-fluorophenyl)-1H-pyrrol-3-yl)(((5-(2-fluorophenyl)-1H-pyrrol-3-yl)methyl)amino)methyl)-1H-pyrrole-3-carbaldehyde Vonoprazan Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C, protect from light, stored under nitrogen
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₂₅F₃N₄O
Molecular Weight
550.57
Synonyms
None
SMILES
O=CC1=CN(C(C2=CNC(C3=CC=CC=C3F)=C2)NCC4=CNC(C5=CC=CC=C5F)=C4)C(C6=CC=CC=C6F)=C1
Tpsa
65.61
Logp
7.7118
H Acceptors
3
H Donors
3
Rotatable Bonds
9
Other Options
...
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: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₂₅F₃N₄O
Molecular Weight: 550.57
Synonyms: None
SMILES: O=CC1=CN(C(C2=CNC(C3=CC=CC=C3F)=C2)NCC4=CNC(C5=CC=CC=C5F)=C4)C(C6=CC=CC=C6F)=C1
Tpsa: 65.61
Logp: 7.7118
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₂₅F₃N₄O
Molecular Weight:
550.57
Synonyms:
None
SMILES:
O=CC1=CN(C(C2=CNC(C3=CC=CC=C3F)=C2)NCC4=CNC(C5=CC=CC=C5F)=C4)C(C6=CC=CC=C6F)=C1
Tpsa:
65.61
Logp:
7.7118
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉D₅N₂O₄
Molecular Weight: 231.26
Synonyms: None
SMILES: OC(C=C1C([2H])([2H])C(NN)(C([2H])([2H])[2H])C(O)=O)=C(C=C1)O
Tpsa: 115.81
Logp: -0.0531
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉D₅N₂O₄
Molecular Weight:
231.26
Synonyms:
None
SMILES:
OC(C=C1C([2H])([2H])C(NN)(C([2H])([2H])[2H])C(O)=O)=C(C=C1)O
Tpsa:
115.81
Logp:
-0.0531
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₂₂F₂N₄O₆S₂
Molecular Weight: 660.67
Synonyms: None
SMILES: O=C(C1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1)C(C4=CN(S(=O)(C5=CC=CN=C5)=O)C(C6=CC=CC=C6F)=C4)O
Tpsa: 141.22
Logp: 5.0821
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₂₂F₂N₄O₆S₂
Molecular Weight:
660.67
Synonyms:
None
SMILES:
O=C(C1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1)C(C4=CN(S(=O)(C5=CC=CN=C5)=O)C(C6=CC=CC=C6F)=C4)O
Tpsa:
141.22
Logp:
5.0821
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₂₈F₃N₅O₃S
Molecular Weight: 691.72
Synonyms: None
SMILES: O=S(C1=CC=CN=C1)(N(C(C2=CNC(C3=CC=CC=C3F)=C2)N4C(C5=CC=CC=C5F)=CC(C=O)=C4)CC6=CNC(C7=CC=CC=C7F)=C6)=O
Tpsa: 103.85
Logp: 8.2081
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₂₈F₃N₅O₃S
Molecular Weight:
691.72
Synonyms:
None
SMILES:
O=S(C1=CC=CN=C1)(N(C(C2=CNC(C3=CC=CC=C3F)=C2)N4C(C5=CC=CC=C5F)=CC(C=O)=C4)CC6=CNC(C7=CC=CC=C7F)=C6)=O
Tpsa:
103.85
Logp:
8.2081
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
11