CS-0643453
N-((5-(2-Fluorophenyl)-1H-pyrrol-3-yl)(2-(2-fluorophenyl)-4-formyl-1H-pyrrol-1-yl)methyl)-N-((5-(2-fluorophenyl)-1H-pyrrol-3-yl)methyl)pyridine-3-sulfonamide Vonoprazan Impurity
Manufacturer: ChemScene
CAS Number: None
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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
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, 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
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₁₇F₂N₃O₄S
Molecular Weight: 517.50
Synonyms: None
SMILES: O=C(N1C=C(C([H])=O)C=C1C2=CC=CC=C2F)C3=CN(S(=O)(C4=CN=CC=C4)=O)C(C5=CC=CC=C5F)=C3
Tpsa: 91.03
Logp: 5.0348
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₁₇F₂N₃O₄S
Molecular Weight:
517.50
Synonyms:
None
SMILES:
O=C(N1C=C(C([H])=O)C=C1C2=CC=CC=C2F)C3=CN(S(=O)(C4=CN=CC=C4)=O)C(C5=CC=CC=C5F)=C3
Tpsa:
91.03
Logp:
5.0348
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₁D₅O₃
Molecular Weight: 341.54
Synonyms: None
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(OC([2H])([2H])C1([2H])C([2H])([2H])O1)=O
Tpsa: 38.83
Logp: 5.7419
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₁D₅O₃
Molecular Weight:
341.54
Synonyms:
None
SMILES:
CCCCC/C=C/C/C=C/CCCCCCCC(OC([2H])([2H])C1([2H])C([2H])([2H])O1)=O
Tpsa:
38.83
Logp:
5.7419
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈HD₅O₃
Molecular Weight: 155.16
Synonyms: Benzoylformic acid-d<sub>5</sub>
SMILES: OC(C(C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])=O)=O
Tpsa: 54.37
Logp: 0.9539
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈HD₅O₃
Molecular Weight:
155.16
Synonyms:
Benzoylformic acid-d<sub>5</sub>
SMILES:
OC(C(C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])=O)=O
Tpsa:
54.37
Logp:
0.9539
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2