CS-1002806
Etoricoxib Impurity 45
Manufacturer: ChemScene
CAS Number: 2241145-66-2
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₈H₁₅NO₄S
Molecular Weight
341.38
Synonyms
None
SMILES
O=CC=1C=C(C2=CC=C(C=C2)S(=O)(=O)C)C(O)=C3C=NC(=CC13)C
Tpsa
84.33
Logp
3.13182
H Acceptors
5
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2241145-66-2 | 5-(Hydroxymethylene)-3-methyl-7-(4-(methylsulfonyl)phenyl)isoquinolin-8(5H)-one | A2B Chem | -- |
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅NO₄S
Molecular Weight: 341.38
Synonyms: None
SMILES: O=CC=1C=C(C2=CC=C(C=C2)S(=O)(=O)C)C(O)=C3C=NC(=CC13)C
Tpsa: 84.33
Logp: 3.13182
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅NO₄S
Molecular Weight:
341.38
Synonyms:
None
SMILES:
O=CC=1C=C(C2=CC=C(C=C2)S(=O)(=O)C)C(O)=C3C=NC(=CC13)C
Tpsa:
84.33
Logp:
3.13182
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₄₂O₄
Molecular Weight: 418.61
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@@H](O)C(=CC)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa: 77.76
Logp: 5.0341
H Acceptors: 3
H Donors: 3
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:
C₂₆H₄₂O₄
Molecular Weight:
418.61
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@@H](O)C(=CC)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa:
77.76
Logp:
5.0341
H Acceptors:
3
H Donors:
3
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: C₁₁H₁₃ClO
Molecular Weight: 196.67
Synonyms: None
SMILES: O=C(C1=CC(=CC=C1C)C)CCCl
Tpsa: 17.07
Logp: 3.11504
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃ClO
Molecular Weight:
196.67
Synonyms:
None
SMILES:
O=C(C1=CC(=CC=C1C)C)CCCl
Tpsa:
17.07
Logp:
3.11504
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇Cl₃N₂
Molecular Weight: 319.66
Synonyms: None
SMILES: [Cl-].Cl.ClCC1=CC(=C[N+](=C1)CC=2C=NC=C(C2)C)C
Tpsa: 16.77
Logp: 0.19884
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇Cl₃N₂
Molecular Weight:
319.66
Synonyms:
None
SMILES:
[Cl-].Cl.ClCC1=CC(=C[N+](=C1)CC=2C=NC=C(C2)C)C
Tpsa:
16.77
Logp:
0.19884
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3