CS-0643454
5-(2-Fluorophenyl)-1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbonyl)-1H-pyrrole-3-carbaldehyde Vonoprazan Impurity
Manufacturer: ChemScene
CAS Number: None
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₄F₂N₄O₂S
Molecular Weight: 518.58
Synonyms: None
SMILES: CN(C(S(C1=CN=CC=C1)(=O)=O)C2=CNC(C3=CC=CC=C3F)=C2)CC4=CNC(C5=CC=CC=C5F)=C4
Tpsa: 81.85
Logp: 5.9545
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₄F₂N₄O₂S
Molecular Weight:
518.58
Synonyms:
None
SMILES:
CN(C(S(C1=CN=CC=C1)(=O)=O)C2=CNC(C3=CC=CC=C3F)=C2)CC4=CNC(C5=CC=CC=C5F)=C4
Tpsa:
81.85
Logp:
5.9545
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
8