CS-0566997
2-(4-(Methylsulfonyl)phenyl)-1-(pyridin-3-yl)ethanone Etoricoxib Impurity
Manufacturer: ChemScene
CAS Number: 40061-50-5
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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
C₁₄H₁₃NO₃S
Molecular Weight
275.32
Synonyms
Etoricoxib Impurity 60
SMILES
O=C(CC1=CC=C(S(=O)(C)=O)C=C1)C2=CC=CN=C2
Tpsa
64.1
Logp
1.9105
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 40061-50-5 | 2-(4-(Methylsulfonyl)phenyl)-1-(pyridin-3-yl)ethan-1-one | A2B Chem | -- |
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: C₁₄H₁₃NO₃S
Molecular Weight: 275.32
Synonyms: Etoricoxib Impurity 60
SMILES: O=C(CC1=CC=C(S(=O)(C)=O)C=C1)C2=CC=CN=C2
Tpsa: 64.1
Logp: 1.9105
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃NO₃S
Molecular Weight:
275.32
Synonyms:
Etoricoxib Impurity 60
SMILES:
O=C(CC1=CC=C(S(=O)(C)=O)C=C1)C2=CC=CN=C2
Tpsa:
64.1
Logp:
1.9105
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉BrN₂O₃
Molecular Weight: 273.08
Synonyms: Ethyl 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
SMILES: O=C(C(NC1=NC=C(C=C1)Br)=O)OCC
Tpsa: 68.29
Logp: 1.3457
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉BrN₂O₃
Molecular Weight:
273.08
Synonyms:
Ethyl 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
SMILES:
O=C(C(NC1=NC=C(C=C1)Br)=O)OCC
Tpsa:
68.29
Logp:
1.3457
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₅N₅O
Molecular Weight: 305.33
Synonyms: None
SMILES: O=CNC1=CC=C(C)C(NC2=NC(C3=CN=CC=C3)=CC=N2)=C1
Tpsa: 79.8
Logp: 3.15892
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₅N₅O
Molecular Weight:
305.33
Synonyms:
None
SMILES:
O=CNC1=CC=C(C)C(NC2=NC(C3=CN=CC=C3)=CC=N2)=C1
Tpsa:
79.8
Logp:
3.15892
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀BrN₇O₄S
Molecular Weight: 592.51
Synonyms: None
SMILES: O=C(C1=NC2=C(CN(CC2)C)S1)N[C@H]3[C@H](CC[C@@H](C3)C(N(C)C)=O)NC(C(NC4=CC=C(C=N4)Br)=O)=O
Tpsa: 136.63
Logp: 1.3987
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀BrN₇O₄S
Molecular Weight:
592.51
Synonyms:
None
SMILES:
O=C(C1=NC2=C(CN(CC2)C)S1)N[C@H]3[C@H](CC[C@@H](C3)C(N(C)C)=O)NC(C(NC4=CC=C(C=N4)Br)=O)=O
Tpsa:
136.63
Logp:
1.3987
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
5