CS-0311348
4-(5-(2,4-Dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide Celecoxib Impurity
Manufacturer: ChemScene
CAS Number: 170570-09-9
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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
C₁₈H₁₆F₃N₃O₂S
Molecular Weight
395.40
Synonyms
4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
SMILES
O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(C)C=C3C)C=C1)(N)=O
Tpsa
77.98
Logp
3.82234
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Celecoxib Related Compound C | Supelco | ₹ 59,883.90 | |
 | 170570-09-9 | 2-Methyl-Celecoxib | A2B Chem | ₹ 1,03,685.00 |
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
3077
Class
9
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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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: C₁₈H₁₆F₃N₃O₂S
Molecular Weight: 395.40
Synonyms: 4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
SMILES: O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(C)C=C3C)C=C1)(N)=O
Tpsa: 77.98
Logp: 3.82234
H Acceptors: 4
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:
C₁₈H₁₆F₃N₃O₂S
Molecular Weight:
395.40
Synonyms:
4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
SMILES:
O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(C)C=C3C)C=C1)(N)=O
Tpsa:
77.98
Logp:
3.82234
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉Cl₂N₃O₂S
Molecular Weight: 354.21
Synonyms: None
SMILES: O=C(C1=NN=C(C2=CC=CS2)O1)NCC3=CC=C(Cl)C(Cl)=C3
Tpsa: 68.02
Logp: 4.0349
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₉Cl₂N₃O₂S
Molecular Weight:
354.21
Synonyms:
None
SMILES:
O=C(C1=NN=C(C2=CC=CS2)O1)NCC3=CC=C(Cl)C(Cl)=C3
Tpsa:
68.02
Logp:
4.0349
H Acceptors:
5
H Donors:
1
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: C₁₅H₂₂BNO₄
Molecular Weight: 291.15
Synonyms: None
SMILES: O=C(N1CCC2=CC=C(B(O)O)C=C2CC1)OC(C)(C)C
Tpsa: 70
Logp: 0.7021
H Acceptors: 4
H Donors: 2
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:
C₁₅H₂₂BNO₄
Molecular Weight:
291.15
Synonyms:
None
SMILES:
O=C(N1CCC2=CC=C(B(O)O)C=C2CC1)OC(C)(C)C
Tpsa:
70
Logp:
0.7021
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₉NO₄
Molecular Weight: 229.27
Synonyms: tert-butyl (S)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILES: O=C(N1CC2(OC[C@@H](O)C2)C1)OC(C)(C)C
Tpsa: 59
Logp: 0.7571
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₉NO₄
Molecular Weight:
229.27
Synonyms:
tert-butyl (S)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILES:
O=C(N1CC2(OC[C@@H](O)C2)C1)OC(C)(C)C
Tpsa:
59
Logp:
0.7571
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0