CS-0179189
1-(5-(2-Fluorophenyl)-1-((1,4,5,6-tetrahydropyridin-3-yl)sulfonyl)- 1H-pyrrol-3-yl)-N-methylmethanamine fumarate Vonoprazan Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₁H₂₄FN₃O₆S
Molecular Weight
465.50
Synonyms
None
SMILES
O=S(N1C=C(CNC)C=C1C2=CC=CC=C2F)(C3=CCCNC3)=O.OC(/C=C/C(O)=O)=O
Tpsa
137.73
Logp
1.7805
H Acceptors
7
H Donors
4
Rotatable Bonds
7
Other Options
...
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SAFETY INFORMATION
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: C₂₁H₂₄FN₃O₆S
Molecular Weight: 465.50
Synonyms: None
SMILES: O=S(N1C=C(CNC)C=C1C2=CC=CC=C2F)(C3=CCCNC3)=O.OC(/C=C/C(O)=O)=O
Tpsa: 137.73
Logp: 1.7805
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄FN₃O₆S
Molecular Weight:
465.50
Synonyms:
None
SMILES:
O=S(N1C=C(CNC)C=C1C2=CC=CC=C2F)(C3=CCCNC3)=O.OC(/C=C/C(O)=O)=O
Tpsa:
137.73
Logp:
1.7805
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₄₉ClN₈O₈S
Molecular Weight: 837.38
Synonyms: None
SMILES: O=C1C2=C(OCC(NCCCCCCCN3C[C@@H](CCC3)NC4=NC=C(Cl)C(NC5=C(C=CC=C5)S(C(C)C)(=O)=O)=N4)=O)C=CC=C2C(N1C6C(NC(CC6)=O)=O)=O
Tpsa: 209.1
Logp: 4.4789
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₉ClN₈O₈S
Molecular Weight:
837.38
Synonyms:
None
SMILES:
O=C1C2=C(OCC(NCCCCCCCN3C[C@@H](CCC3)NC4=NC=C(Cl)C(NC5=C(C=CC=C5)S(C(C)C)(=O)=O)=N4)=O)C=CC=C2C(N1C6C(NC(CC6)=O)=O)=O
Tpsa:
209.1
Logp:
4.4789
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₃₂O₂S
Molecular Weight: 288.49
Synonyms: Tetradecylthioacetic acid
SMILES: O=C(O)CSCCCCCCCCCCCCCC
Tpsa: 37.3
Logp: 5.5053
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₃₂O₂S
Molecular Weight:
288.49
Synonyms:
Tetradecylthioacetic acid
SMILES:
O=C(O)CSCCCCCCCCCCCCCC
Tpsa:
37.3
Logp:
5.5053
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₄₄ClNO₂
Molecular Weight: 378.03
Synonyms: None
SMILES: O=C(CCCCCCCCCCCCCCC)OCC[N+](C)(C)C.[Cl-]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₄₄ClNO₂
Molecular Weight:
378.03
Synonyms:
None
SMILES:
O=C(CCCCCCCCCCCCCCC)OCC[N+](C)(C)C.[Cl-]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A