CS-1003595
Etoricoxib Impurity 65
Manufacturer: ChemScene
CAS Number: 321913-54-6
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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
C₁₆H₁₄N₂OS
Molecular Weight
282.36
Synonyms
None
SMILES
N#CC(C(=O)C1=CN=C(C=C1)C)C2=CC=C(SC)C=C2
Tpsa
53.75
Logp
3.602
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 321913-54-6 | 3-Pyridinepropanenitrile, 6-methyl-α-[4-(methylthio)phenyl]-β-oxo- | A2B Chem | -- |
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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: C₁₆H₁₄N₂OS
Molecular Weight: 282.36
Synonyms: None
SMILES: N#CC(C(=O)C1=CN=C(C=C1)C)C2=CC=C(SC)C=C2
Tpsa: 53.75
Logp: 3.602
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:
C₁₆H₁₄N₂OS
Molecular Weight:
282.36
Synonyms:
None
SMILES:
N#CC(C(=O)C1=CN=C(C=C1)C)C2=CC=C(SC)C=C2
Tpsa:
53.75
Logp:
3.602
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: C₁₅H₁₄O₅
Molecular Weight: 274.27
Synonyms: None
SMILES: O=C(C=1C(O)=CC(O)=CC1O)COCC=2C=CC=CC2
Tpsa: 86.99
Logp: 2.2029
H Acceptors: 5
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:
C₁₅H₁₄O₅
Molecular Weight:
274.27
Synonyms:
None
SMILES:
O=C(C=1C(O)=CC(O)=CC1O)COCC=2C=CC=CC2
Tpsa:
86.99
Logp:
2.2029
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₈O₇
Molecular Weight: 402.52
Synonyms: None
SMILES: C(C)[C@@H]1[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O1
Tpsa: 124.29
Logp: 1.2952
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₈O₇
Molecular Weight:
402.52
Synonyms:
None
SMILES:
C(C)[C@@H]1[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O1
Tpsa:
124.29
Logp:
1.2952
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₄N₅O₉P
Molecular Weight: 531.50
Synonyms: None
SMILES: O=C(OCOP(=O)(OCOC(=O)C(C)(C)C)COCCN1C=NC=2C(=NC=NC21)NCO)C(C)(C)C
Tpsa: 173.22
Logp: 2.482
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₄N₅O₉P
Molecular Weight:
531.50
Synonyms:
None
SMILES:
O=C(OCOP(=O)(OCOC(=O)C(C)(C)C)COCCN1C=NC=2C(=NC=NC21)NCO)C(C)(C)C
Tpsa:
173.22
Logp:
2.482
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
13